smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(C(=O)CSC2=NCCc3ccccc32)cc1	4362984	KEGRKMCXGXYEFJ-UHFFFAOYSA-N	311.406	3.614	10	30	DHCC	
COc1ccc(N2CO[C@@H](C)c3nc4ccccc4n3C2)cc1	104430	LAHMSTXFRLZJJE-ZDUSSCGKSA-N	309.369	3.558	10	30	DHCC	
O=C1c2ccc(Br)cc2C(=O)[C@@H]1c1ccccc1	100369297	QFLZIWVSQDZLNW-CYBMUJFWSA-N	301.139	3.612	10	30	DHCC	in-man
CCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1	2265279783	SJMILXQGXLBHGQ-UHFFFAOYSA-N	306.365	3.891	10	30	DHCC	
COc1ccc(N2CSCc3nc4ccccc4n3C2)cc1	104491	JJMAZZCZWVSQSE-UHFFFAOYSA-N	311.410	3.713	10	30	DHCC	
CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@@H](N=[N+]=[N-])C1	958719556	PVRCYKVOJOIKLO-KGLIPLIRSA-N	302.378	3.775	10	30	DHCC	
Nc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2Cl)cc1	5161880	HGMHMGJENYQSNT-FOCLMDBBSA-N	311.750	3.584	10	30	DHCC	
CN(/N=N/c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	200307987	PRZZOHJHJPDVPX-CCEZHUSRSA-N	301.262	3.638	10	30	DHCC	
C(CCN1CCOCC1)=C1c2ccccc2CCc2ccccc21	31702478	ZQALRUNJXMWBAX-UHFFFAOYSA-N	319.448	3.939	10	30	DHCC	
CC(C)c1ccc(N2C(=O)/C(=C/N(C)C)SC2=S)cc1	1045950	YMJFGYOKXBCJOT-LCYFTJDESA-N	306.456	3.578	10	30	DHCC	
CN1CN(C)C(/N=N/c2ccc(N(C)Cc3ccccc3)cc2)=N1	38635744	GXJQJQPUBZNCHL-FMQUCBEESA-N	322.416	3.512	10	30	DHCC	
COc1ccc(N2CO[C@H](C)c3nc4ccccc4n3C2)cc1	104434	LAHMSTXFRLZJJE-CYBMUJFWSA-N	309.369	3.558	10	30	DHCC	
O=C1Nc2ccccc2/C1=C/c1c[nH]c2ccc([N+](=O)[O-])cc12	151518	UYWGYPSZHWUMHT-AUWJEWJLSA-N	305.293	3.569	10	30	DHCC	
COc1ccccc1NC[C@H](O)COc1cccc2ccccc12	5586883	AVHHNKJMHJEWLN-INIZCTEOSA-N	323.392	3.700	10	30	DHCC	
Cn1c(=O)c(N=Nc2ccccc2[N+](=O)[O-])c(O)c2ccccc21	255965634	BUJQHRIAICVCEJ-UHFFFAOYSA-N	324.296	3.568	10	30	DHCC	
CCCC1(c2cccc(OC)c2)CN(CCc2ccc(N)cc2)C1	1844024	JKCBCFOGBHTOCJ-UHFFFAOYSA-N	324.468	3.874	10	30	DHCC	
Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2C)ccc1N	5419631	OLDIJSAKWOOHRZ-WUKNDPDISA-N	305.359	3.548	10	30	DHCC	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC1CC1	70061	MQXRQVZOXHSPOI-UHFFFAOYSA-N	301.345	3.623	10	30	DHCC	
COc1cc(/N=N/c2cccc(S(=O)(=O)O)c2)ccc1[N+]#N	5999178	YBZSIRZPSPQSNQ-WUKNDPDISA-O	319.322	3.842	10	30	DHCC	
Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2C)c(C)cc1N	4821631	YEDPFMFXPLLASX-ISLYRVAYSA-N	319.386	3.856	10	30	DHCC	
CC1=NN(c2ccc(C)cc2)C(=O)C1=C1SCCCS1	104735	WJAGUYHXFJSWIP-UHFFFAOYSA-N	304.440	3.799	10	30	DHCC	
O=[N+]([O-])c1cnc(Sc2ccc(C(F)(F)F)cn2)s1	1047660	HBBAQSLZMOLWKJ-UHFFFAOYSA-N	307.278	3.616	10	30	DHCC	
Cc1nn(C)c(O)c1/N=N/c1ccc(OC(F)(F)F)cc1	4389862	XBQHAMIWDRCRSL-WUKNDPDISA-N	300.240	3.748	10	30	DHCC	
COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OC	2265279769	PEDXHPZSFZQYMI-UHFFFAOYSA-N	322.364	3.510	10	30	DHCC	
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c(Cl)ccc(Cl)c21	5844046	MXBSQEXFJJQOCG-UHFFFAOYSA-N	322.103	3.677	10	30	DHCC	
O=C(O)c1cc(/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1O	38646089	DGIVHDSCMQYEDB-WUKNDPDISA-N	320.688	3.857	10	30	DHCC	
Nc1ccc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O	5425562	KXKQOXULEPSPIU-UHFFFAOYSA-N	320.392	3.789	10	30	DHCC	
Cn1nc(-c2ccccc2)c(O)c(/N=N/c2ccccc2)c1=O	3957553	LUKIIVPGHBZXLC-VHEBQXMUSA-N	306.325	3.568	10	30	DHCC	
O=C1c2cc(Cl)ccc2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21	6094037	UFYUVEYNCNGOHW-UHFFFAOYSA-N	322.103	3.677	10	30	DHCC	
O=C1c2ccc(Br)cc2C(=O)[C@H]1c1ccccc1	100369302	QFLZIWVSQDZLNW-ZDUSSCGKSA-N	301.139	3.612	10	30	DHCC	in-man
Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(C)cc1N	111877368	QSNWRPXZRGBBTQ-WUKNDPDISA-N	305.359	3.548	10	30	DHCC	
Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1	2013235	KKVLCJIOPNYOQN-UHFFFAOYSA-N	303.409	3.615	10	30	DHCC	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1	100147996	OJTBELYPPVWXML-CXUHLZMHSA-N	312.756	3.852	10	30	DHCC	
O=c1c(/N=N/c2ccccc2[N+](=O)[O-])c(O)[nH]c2ccccc12	111393198	CHCSKFZSJAOUBL-ISLYRVAYSA-N	310.269	3.557	10	30	DHCC	
COc1ccccc1NC[C@@H](O)COc1cccc2ccccc12	5586892	AVHHNKJMHJEWLN-MRXNPFEDSA-N	323.392	3.700	10	30	DHCC	
Cc1nn(C)c(O)c1/N=N/c1ccccc1OC(F)(F)F	4389926	VXKVHAJVSOSJGM-WUKNDPDISA-N	300.240	3.748	10	30	DHCC	
Cc1nn(-c2ccccc2)c(O)c1/N=N/c1ccccc1C(=O)O	100297077	CPCXVNGEMJXITC-VHEBQXMUSA-N	322.324	4.000	10	30	DHCC	
CN(Cc1ccccc1)c1ccc(/N=N/c2ncnn2C)cc1	5161514	PFGLNVDICYPUMQ-QZQOTICOSA-N	306.373	3.867	10	30	DHCC