smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)c1ccccc1O	315539098	KEMLYIJCPPUWGK-CRAIPNDOSA-N	297.442	5.220	10	20	CKCD	
Cc1cscc1N[C@H](C)c1ccc2ccccc2c1O	387131711	SGHCCHISSWKJFT-GFCCVEGCSA-N	283.396	5.088	10	20	CKCD	
CC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)c1ccc(C)cc1	756353066	XBUVIDUGPQMBKS-VQIMIIECSA-N	297.442	5.119	10	20	CKCD	
Cc1cc(Cl)ccc1CNc1ccccc1NC(C)C	864041457	MZOHEZUGRSHJQV-UHFFFAOYSA-N	288.822	5.081	10	20	CKCD	
Cc1ccc(O)c([C@H](C)N[C@H](c2ccccc2C)C(C)C)c1	756573741	CGTWFCQOCDUFTL-JXFKEZNVSA-N	297.442	5.057	10	20	CKCD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2C)C(C)C)c(O)c1	756576784	OUNGYXJLNSOYDG-JXFKEZNVSA-N	297.442	5.057	10	20	CKCD	
C[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1ccsc1	61360760	VTBHJXKARFLZCC-CHWSQXEVSA-N	297.423	5.019	10	20	CKCD	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1ccccc1O	315539102	KEMLYIJCPPUWGK-QAPCUYQASA-N	297.442	5.220	10	20	CKCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C1CC=CC1	740774859	DBCMOACWSXVDEW-UHFFFAOYSA-N	291.354	5.007	10	20	CKCD	
O=C(/C=C/C1CC1)Nc1ccc(N=Nc2ccccc2)cc1	744350412	NZXNLDVFLSLKPI-XEWZIQTASA-N	291.354	5.007	10	20	CKCD	
C[C@@H](Sc1nccs1)c1ccc(Cl)cc1Cl	919676723	RACWHLKZJRKHKJ-SSDOTTSWSA-N	290.240	5.303	10	20	CKCD	
Cc1ccc([C@@H](C)Nc2cccc3ccsc23)c(O)c1	386178127	ODEDWXGWAZCLJR-GFCCVEGCSA-N	283.396	5.088	10	20	CKCD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C(C)C)c(O)c1C	756361324	WZWUWTNQRXKZET-LPHOPBHVSA-N	297.442	5.057	10	20	CKCD	
Cc1ccc(O)c([C@H](C)Nc2cccc3ccsc23)c1	386126468	DCBBJPWGQDEXFY-LBPRGKRZSA-N	283.396	5.088	10	20	CKCD	
Cc1ccc([C@@H](C)Nc2csc3ccccc23)c(O)c1	757627393	CHBBGRLENHCNGZ-GFCCVEGCSA-N	283.396	5.088	10	20	CKCD	
CC[C@H](C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	817977394	JFQORLBXMSVGPC-ZDUSSCGKSA-N	281.359	5.087	10	20	CKCD	
CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(C)cc1O	794802394	NSLQIFPFNNDUKH-LPHOPBHVSA-N	297.442	5.119	10	20	CKCD	
CC[C@H](N[C@H](C)c1cccc(C)c1C)c1ccc(C)cc1O	794802391	NSLQIFPFNNDUKH-APWZRJJASA-N	297.442	5.119	10	20	CKCD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1ccccc1O	783510341	XSVFYRIIIGWYDX-CHWSQXEVSA-N	297.423	5.019	10	20	CKCD	
Cc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1ccccc1O	783509913	NINMPDWKIRXMTH-VQIMIIECSA-N	297.442	5.139	10	20	CKCD	
Cc1ccc([C@@H](C)Nc2ccc3ccccc3c2)c(O)c1	36951838	STEHQQFAHMVLRJ-CQSZACIVSA-N	277.367	5.027	10	20	CKCD	
C[C@H](N[C@H](C)c1ccccc1O)c1csc2ccccc12	783510342	XSVFYRIIIGWYDX-OLZOCXBDSA-N	297.423	5.019	10	20	CKCD	
Cc1ccc(N[C@@H](C)c2ccc3ccccc3c2O)cc1	19964425	LQTCCZLQDDGYDG-AWEZNQCLSA-N	277.367	5.027	10	20	CKCD	
CC[C@H](Nc1csc2ccccc12)c1ccccc1O	775546868	NOJJMJYATHGDMM-AWEZNQCLSA-N	283.396	5.170	10	20	CKCD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C(C)(C)C)c(O)c1	315121540	AJZZAXFPAUHEPL-DNVCBOLYSA-N	297.442	5.139	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)Nc2csc3ccccc23)c1	757629007	JXPAAWOTQIGKNU-GFCCVEGCSA-N	283.396	5.088	10	20	CKCD	
CC[C@H](Nc1cccc2ccsc12)c1ccccc1O	386232881	XHWZIRYKPALBHA-AWEZNQCLSA-N	283.396	5.170	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)N[C@H](c2ccccc2C)C(C)C)c1	756573751	CGTWFCQOCDUFTL-UZLBHIALSA-N	297.442	5.057	10	20	CKCD	
CCSc1cccc(N[C@@H](CC)c2ccccc2O)c1	689700216	NOMQHEXEANIHMC-INIZCTEOSA-N	287.428	5.067	10	20	CKCD	
Cc1ccc(O)c([C@H](C)Nc2csc3ccccc23)c1	757629011	JXPAAWOTQIGKNU-LBPRGKRZSA-N	283.396	5.088	10	20	CKCD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)c1C	756584918	HXJOYYKWAKARSR-IAGOWNOFSA-N	297.442	5.038	10	20	CKCD	
CC[C@@H](Nc1cccc2ccccc12)c1ccccc1O	19900881	JARTUFWFRZIIHE-QGZVFWFLSA-N	277.367	5.109	10	20	CKCD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1ccccc1O	783529820	VKIJLYBFRVDGSL-ZDUSSCGKSA-N	295.407	5.294	10	20	CKCD	
Cc1ccc(CNc2ccccc2NC(C)C)c(Cl)c1	864041162	KSZSXRJPPVICAR-UHFFFAOYSA-N	288.822	5.081	10	20	CKCD	
CC[C@@H](C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	817977393	JFQORLBXMSVGPC-CYBMUJFWSA-N	281.359	5.087	10	20	CKCD	
C[C@H](N[C@H](C)c1ccsc1)c1ccc2ccccc2c1O	61360758	VTBHJXKARFLZCC-OLZOCXBDSA-N	297.423	5.019	10	20	CKCD	
O=C(/C=C\C1CC1)Nc1ccc(N=Nc2ccccc2)cc1	744350426	NZXNLDVFLSLKPI-XTPDPPIYSA-N	291.354	5.007	10	20	CKCD	
Cc1ccc(O)c([C@H](C)Nc2ccc3ccccc3c2)c1	36952091	QYWXVUMDZQBRIW-AWEZNQCLSA-N	277.367	5.027	10	20	CKCD	
CC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)c1ccc(C)cc1	756352879	XBUVIDUGPQMBKS-APWZRJJASA-N	297.442	5.119	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)Nc2cccc3ccccc23)c1	35628503	WYTNWHWYLBUUTI-CQSZACIVSA-N	277.367	5.027	10	20	CKCD	
CC(C)Nc1ccccc1NCc1ccc2ccccc2c1	864041776	QCXQSXPPSAMXRS-UHFFFAOYSA-N	290.410	5.272	10	20	CKCD	
CC(C)(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	253928548	UAERVFGYVTYUNF-UHFFFAOYSA-N	281.359	5.087	10	20	CKCD	
Cc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2C)C(C)C)c1	756573745	CGTWFCQOCDUFTL-OXJNMPFZSA-N	297.442	5.057	10	20	CKCD	
CC[C@@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(C)cc1O	794802396	NSLQIFPFNNDUKH-QFBILLFUSA-N	297.442	5.119	10	20	CKCD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)c1C	756584920	HXJOYYKWAKARSR-SJORKVTESA-N	297.442	5.038	10	20	CKCD	
CC(C)Nc1ccccc1NCc1ccc(C(F)F)cc1	864041550	PBEGXLPBXRBBIN-UHFFFAOYSA-N	290.357	5.057	10	20	CKCD	
C/C=C/C=C\C(=O)Nc1ccc(N=Nc2ccccc2)cc1	916828033	LDUCPEXMUREBHZ-ZYIKGIFYSA-N	291.354	5.173	10	20	CKCD	
c1ccc2cc3c(ccc4nc5ccccc5nc43)cc2c1	642881653	OHSIMCYLGPRNRC-UHFFFAOYSA-N	280.330	5.089	10	20	CKCD	
Cc1ccc([C@@H](C)Nc2cccc3ccccc23)c(O)c1	21789416	CATDFRQGXHRYSJ-CQSZACIVSA-N	277.367	5.027	10	20	CKCD	
Cc1ccc([C@H](C)Nc2cccc3ccccc23)c(O)c1	21789419	CATDFRQGXHRYSJ-AWEZNQCLSA-N	277.367	5.027	10	20	CKCD	
C/C=C/C=C/C(=O)Nc1ccc(N=Nc2ccccc2)cc1	916828032	LDUCPEXMUREBHZ-WKRWMEEASA-N	291.354	5.173	10	20	CKCD	
Cc1ccc(O)c([C@H](C)Nc2cccc3ccccc23)c1	35628504	WYTNWHWYLBUUTI-AWEZNQCLSA-N	277.367	5.027	10	20	CKCD	
CC[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccccc1O	387316898	PBSYDFXZRJTFNS-IEBWSBKVSA-N	297.442	5.220	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](c2ccccc2)C(C)(C)C)c1	315928943	VIBSJGIQKWXLEZ-BEFAXECRSA-N	297.442	5.139	10	20	CKCD	
C[C@@H](Sc1nccs1)c1ccc2ccccc2c1	919676719	QTUBJDKDKFYIJI-LLVKDONJSA-N	271.410	5.150	10	20	CKCD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C(C)(C)C)c(O)c1	315121541	AJZZAXFPAUHEPL-HNAYVOBHSA-N	297.442	5.139	10	20	CKCD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C(C)C)c(O)c1C	756361323	WZWUWTNQRXKZET-APWZRJJASA-N	297.442	5.057	10	20	CKCD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1O)c1ccsc1	61360759	VTBHJXKARFLZCC-QWHCGFSZSA-N	297.423	5.019	10	20	CKCD	
Cc1cccc(Cl)c1CNc1ccccc1NC(C)C	864041456	MZHJGZFXONXHJX-UHFFFAOYSA-N	288.822	5.081	10	20	CKCD	
Cc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)C(C)(C)C)c1	315928953	VIBSJGIQKWXLEZ-KXBFYZLASA-N	297.442	5.139	10	20	CKCD	
Cc1ccccc1[C@@H](N[C@H](C)c1ccccc1O)C(C)(C)C	783519431	KGPJQDSUCGKEDC-DNVCBOLYSA-N	297.442	5.139	10	20	CKCD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)c(O)c1C	756361326	WZWUWTNQRXKZET-VQIMIIECSA-N	297.442	5.057	10	20	CKCD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccccc1O	183503394	PHIKIGOGXDGFCD-QWHCGFSZSA-N	297.423	5.019	10	20	CKCD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)c1	756556330	WHRQPACYODRNCA-DLBZAZTESA-N	297.442	5.038	10	20	CKCD	
Cc1ccc([C@H](C)Nc2csc3ccccc23)c(O)c1	757627399	CHBBGRLENHCNGZ-LBPRGKRZSA-N	283.396	5.088	10	20	CKCD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2C)C(C)C)c(O)c1	756576788	OUNGYXJLNSOYDG-UZLBHIALSA-N	297.442	5.057	10	20	CKCD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1ccccc1O	783510347	XSVFYRIIIGWYDX-STQMWFEESA-N	297.423	5.019	10	20	CKCD	
CC[C@@H](Nc1csc2ccccc12)c1ccccc1O	775546875	NOJJMJYATHGDMM-CQSZACIVSA-N	283.396	5.170	10	20	CKCD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C(C)(C)C)c(O)c1	315121542	AJZZAXFPAUHEPL-KXBFYZLASA-N	297.442	5.139	10	20	CKCD	
CCCc1ccc(CNc2ccccc2NC(C)C)cc1	864041543	OXAOWUHSZQMOIH-UHFFFAOYSA-N	282.431	5.072	10	20	CKCD	
Cc1ccc(O)c([C@H](C)N[C@H](c2ccccc2)C(C)(C)C)c1	315928950	VIBSJGIQKWXLEZ-HNAYVOBHSA-N	297.442	5.139	10	20	CKCD	
CC[C@@H](N[C@@H](c1ccccc1C)C(C)C)c1ccccc1O	775503107	BAVIPXWRTJJIRO-UYAOXDASSA-N	297.442	5.139	10	20	CKCD	
Cc1cccc([C@@H](N[C@H](C)c2ccccc2O)C(C)(C)C)c1	783520029	PADNBABNYHPRSL-DNVCBOLYSA-N	297.442	5.139	10	20	CKCD	
Cc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1ccccc1O	783509911	NINMPDWKIRXMTH-QFBILLFUSA-N	297.442	5.139	10	20	CKCD	
CC[C@@H](Nc1cccc2ccsc12)c1ccccc1O	386232884	XHWZIRYKPALBHA-CQSZACIVSA-N	283.396	5.170	10	20	CKCD	
Cc1ccccc1[C@H](N[C@@H](C)c1ccccc1O)C(C)(C)C	783519433	KGPJQDSUCGKEDC-KXBFYZLASA-N	297.442	5.139	10	20	CKCD	
CC[C@H](N[C@H](c1ccccc1C)C(C)C)c1ccccc1O	775503105	BAVIPXWRTJJIRO-ICSRJNTNSA-N	297.442	5.139	10	20	CKCD	
CC[C@H](Sc1nccs1)c1ccc(Cl)cc1	747363908	POSCDCRVUZMNTB-NSHDSACASA-N	269.822	5.040	10	20	CKCD	
Oc1c(CNc2ccc(C3CC3)cc2)ccc2ccccc12	816560723	YGGYVJZXOVIPFF-UHFFFAOYSA-N	289.378	5.035	10	20	CKCD	
CC(C)Nc1ccccc1NCc1cccc(C(C)C)c1	864041118	JZOICIWEWXNOCI-UHFFFAOYSA-N	282.431	5.242	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)N[C@H](c2ccccc2)C(C)(C)C)c1	315928947	VIBSJGIQKWXLEZ-DNVCBOLYSA-N	297.442	5.139	10	20	CKCD	
Cc1ccccc1[C@H](CC(C)C)N[C@H](C)c1ccccc1O	783509865	NINMPDWKIRXMTH-APWZRJJASA-N	297.442	5.139	10	20	CKCD	
C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccccc1O	757660312	CCDNOMMKNWVQTL-SECBINFHSA-N	297.732	5.156	10	20	CKCD	
C[C@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ccsc1	61360757	VTBHJXKARFLZCC-STQMWFEESA-N	297.423	5.019	10	20	CKCD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1ccccc1O	783510343	XSVFYRIIIGWYDX-QWHCGFSZSA-N	297.423	5.019	10	20	CKCD	
CC(C)=CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	879281519	NBUMDWVSPUZBDN-UHFFFAOYSA-N	279.343	5.007	10	20	CKCD	
Oc1ccccc1CNc1ccc(SC2CCCC2)cc1	37085879	QMHGENPILZLZIE-UHFFFAOYSA-N	299.439	5.039	10	20	CKCD	
CCSc1cccc(N[C@H](CC)c2ccccc2O)c1	689700221	NOMQHEXEANIHMC-MRXNPFEDSA-N	287.428	5.067	10	20	CKCD	
Cc1ccc([C@H](C)Nc2cccc3ccsc23)c(O)c1	386178130	ODEDWXGWAZCLJR-LBPRGKRZSA-N	283.396	5.088	10	20	CKCD	
CC(C)Nc1ccccc1NCc1cccc(C(F)F)c1	864042120	XFWVNKFIJPZRDO-UHFFFAOYSA-N	290.357	5.057	10	20	CKCD	
Cc1cccc(N[C@@H](C)c2ccc3ccccc3c2O)c1	19877119	RXNLUJUGQLXURB-AWEZNQCLSA-N	277.367	5.027	10	20	CKCD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2C)C(C)C)c(O)c1	756576787	OUNGYXJLNSOYDG-OXQOHEQNSA-N	297.442	5.057	10	20	CKCD	
CC[C@@H](N[C@H](c1ccccc1C)C(C)C)c1ccccc1O	775503106	BAVIPXWRTJJIRO-QUCCMNQESA-N	297.442	5.139	10	20	CKCD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2C)C(C)C)c(O)c1	756576786	OUNGYXJLNSOYDG-OXJNMPFZSA-N	297.442	5.057	10	20	CKCD	
Cc1cscc1N[C@@H](C)c1ccc2ccccc2c1O	387131715	SGHCCHISSWKJFT-LBPRGKRZSA-N	283.396	5.088	10	20	CKCD	
Cc1ccc(N[C@H](C)c2ccc3ccccc3c2O)cc1	19964424	LQTCCZLQDDGYDG-CQSZACIVSA-N	277.367	5.027	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc3ccccc3c2)c1	36952090	QYWXVUMDZQBRIW-CQSZACIVSA-N	277.367	5.027	10	20	CKCD	
C[C@@H](Sc1nccs1)c1ccc(Cl)c(Cl)c1	919676569	FAMKPQRBSXHYKY-SSDOTTSWSA-N	290.240	5.303	10	20	CKCD	
CC[C@H](Nc1cccc2ccccc12)c1ccccc1O	19900883	JARTUFWFRZIIHE-KRWDZBQOSA-N	277.367	5.109	10	20	CKCD	
Cc1cccc([C@H](N[C@H](C)c2ccccc2O)C(C)(C)C)c1	783520028	PADNBABNYHPRSL-BEFAXECRSA-N	297.442	5.139	10	20	CKCD	
Oc1c(CNc2cccc(C(F)F)c2)ccc2ccccc12	816526223	YDHVIHUATHZKLA-UHFFFAOYSA-N	299.320	5.095	10	20	CKCD	
Cc1cccc(N[C@H](C)c2ccc3ccccc3c2O)c1	19877118	RXNLUJUGQLXURB-CQSZACIVSA-N	277.367	5.027	10	20	CKCD	
CC(C)Nc1ccccc1NCc1ccccc1C(C)C	864044465	BQKYZHWTJCWYIN-UHFFFAOYSA-N	282.431	5.242	10	20	CKCD	
Cc1cccc([C@H](N[C@@H](C)c2ccccc2O)C(C)(C)C)c1	783520032	PADNBABNYHPRSL-KXBFYZLASA-N	297.442	5.139	10	20	CKCD	
CC[C@H](Nc1ccccc1C(C)(F)F)c1ccccc1O	824725979	CDLCJZHOWYJPJP-AWEZNQCLSA-N	291.341	5.067	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](c2ccccc2C)C(C)C)c1	756573748	CGTWFCQOCDUFTL-OXQOHEQNSA-N	297.442	5.057	10	20	CKCD	
Oc1ccc2ccccc2c1N=Nc1cccc2ccccc12	263594941	CYZWPZHRSZNWLS-UHFFFAOYSA-N	298.345	6.114	10	20	CKCD	
C[C@@H](Sc1nccs1)c1ccc(C(F)(F)F)cc1	728232529	WDBLXTNOJOWVFQ-MRVPVSSYSA-N	289.347	5.015	10	20	CKCD	
C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)c1ccccc1O	315539100	KEMLYIJCPPUWGK-MAUKXSAKSA-N	297.442	5.220	10	20	CKCD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)c1	756556335	WHRQPACYODRNCA-IRXDYDNUSA-N	297.442	5.038	10	20	CKCD	
CC[C@H](N[C@@H](c1ccccc1C)C(C)C)c1ccccc1O	775503104	BAVIPXWRTJJIRO-AZUAARDMSA-N	297.442	5.139	10	20	CKCD	
CC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1ccc(C)cc1	756353065	XBUVIDUGPQMBKS-QFBILLFUSA-N	297.442	5.119	10	20	CKCD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccccc1O	783529819	VKIJLYBFRVDGSL-CYBMUJFWSA-N	295.407	5.294	10	20	CKCD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C(C)(C)C)c(O)c1	315121539	AJZZAXFPAUHEPL-BEFAXECRSA-N	297.442	5.139	10	20	CKCD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)c1	756556339	WHRQPACYODRNCA-SJORKVTESA-N	297.442	5.038	10	20	CKCD	
C[C@@H](Sc1nccs1)c1cccc2ccccc12	920072329	CEGIEFVMEZUCIL-LLVKDONJSA-N	271.410	5.150	10	20	CKCD	
Cc1ccccc1[C@@H](N[C@@H](C)c1ccccc1O)C(C)(C)C	783519432	KGPJQDSUCGKEDC-HNAYVOBHSA-N	297.442	5.139	10	20	CKCD	
C[C@H](Sc1nccs1)c1ccc(C(F)(F)F)cc1	728232530	WDBLXTNOJOWVFQ-QMMMGPOBSA-N	289.347	5.015	10	20	CKCD	
C[C@H](N[C@H](C)c1ccccc1O)c1cc2ccccc2s1	183503372	PHIKIGOGXDGFCD-OLZOCXBDSA-N	297.423	5.019	10	20	CKCD	
C[C@@H](N[C@H](C)c1ccccc1O)c1cc2ccccc2s1	183503411	PHIKIGOGXDGFCD-CHWSQXEVSA-N	297.423	5.019	10	20	CKCD	
C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccccc1O	757660313	CCDNOMMKNWVQTL-VIFPVBQESA-N	297.732	5.156	10	20	CKCD	
CC[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccccc1O	387316896	PBSYDFXZRJTFNS-HKUYNNGSSA-N	297.442	5.220	10	20	CKCD	
CC[C@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1ccc(C)cc1	756353064	XBUVIDUGPQMBKS-LPHOPBHVSA-N	297.442	5.119	10	20	CKCD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)c1	756556332	WHRQPACYODRNCA-IAGOWNOFSA-N	297.442	5.038	10	20	CKCD	
CC[C@@H](Nc1ccccc1C(C)(F)F)c1ccccc1O	824725980	CDLCJZHOWYJPJP-CQSZACIVSA-N	291.341	5.067	10	20	CKCD	
CC[C@H](C)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1	915303477	DAZMVQBHNLISLK-ZDUSSCGKSA-N	296.374	5.022	10	20	CKCD	
Cc1ccccc1[C@H](N[C@H](C)c1ccccc1O)C(C)(C)C	783519430	KGPJQDSUCGKEDC-BEFAXECRSA-N	297.442	5.139	10	20	CKCD	
Cc1cccc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)c1C	756584917	HXJOYYKWAKARSR-DLBZAZTESA-N	297.442	5.038	10	20	CKCD	
CC[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccccc1O	387316904	PBSYDFXZRJTFNS-PKOBYXMFSA-N	297.442	5.220	10	20	CKCD	
Cc1ccc(O)c([C@@H](C)Nc2cccc3ccsc23)c1	386126467	DCBBJPWGQDEXFY-GFCCVEGCSA-N	283.396	5.088	10	20	CKCD	
Cc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1ccccc1O	783509908	NINMPDWKIRXMTH-LPHOPBHVSA-N	297.442	5.139	10	20	CKCD	
CC[C@@H](N[C@H](C)c1cccc(C)c1C)c1ccc(C)cc1O	794802401	NSLQIFPFNNDUKH-VQIMIIECSA-N	297.442	5.119	10	20	CKCD	
Oc1ccccc1CNc1ccccc1SC1CCCC1	37123465	UYQSRPPGHCVHEW-UHFFFAOYSA-N	299.439	5.039	10	20	CKCD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)c1C	756584919	HXJOYYKWAKARSR-IRXDYDNUSA-N	297.442	5.038	10	20	CKCD	
CC(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	254834973	WUKKVSGAXJMUQQ-UHFFFAOYSA-N	281.359	5.087	10	20	CKCD	
C[C@H](N[C@@H](C)c1ccccc1O)c1cc2ccccc2s1	183503349	PHIKIGOGXDGFCD-STQMWFEESA-N	297.423	5.019	10	20	CKCD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C(C)C)c(O)c1C	756361325	WZWUWTNQRXKZET-QFBILLFUSA-N	297.442	5.057	10	20	CKCD	
Cc1cccc([C@@H](N[C@@H](C)c2ccccc2O)C(C)(C)C)c1	783520031	PADNBABNYHPRSL-HNAYVOBHSA-N	297.442	5.139	10	20	CKCD	
Cc1ccc([C@H](C)Nc2ccc3ccccc3c2)c(O)c1	36951839	STEHQQFAHMVLRJ-AWEZNQCLSA-N	277.367	5.027	10	20	CKCD	
Cc1cc(C)c(CNc2ccccc2NC(C)C)c(C)c1	864041983	SLDFCUOGKDCBME-UHFFFAOYSA-N	282.431	5.044	10	20	CKCD	
C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1ccccc1O	315539104	KEMLYIJCPPUWGK-YJBOKZPZSA-N	297.442	5.220	10	20	CKCD	
CC[C@@H](C)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1	915303476	DAZMVQBHNLISLK-CYBMUJFWSA-N	296.374	5.022	10	20	CKCD	
CC[C@H](Nc1ccc2ccccc2c1)c1ccccc1O	36951955	DUAPGNQQJFXBRQ-SFHVURJKSA-N	277.367	5.109	10	20	CKCD	
CC[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccccc1O	387316901	PBSYDFXZRJTFNS-MJGOQNOKSA-N	297.442	5.220	10	20	CKCD	
CC[C@@H](Nc1ccc2ccccc2c1)c1ccccc1O	36951956	DUAPGNQQJFXBRQ-GOSISDBHSA-N	277.367	5.109	10	20	CKCD