smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(/C=N/NC(=O)CN2C(=O)CSc3ccccc32)cc(OC)c1OC	1036453	BMJKWZCTWPAAHY-UFFVCSGVSA-N	415.471	2.301	50	30	HEGC	
Cc1csc2c(SCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ncnc12	3127505	AQZZBXTVBUNSEF-UHFFFAOYSA-N	403.445	2.461	50	30	HEGC	
CC(C)(C)S(=O)(=O)/C(C#N)=C/NNS(=O)(=O)c1ccc(Cl)c(Cl)c1	4344828	NCOMIFVMLOSHQB-CSKARUKUSA-N	412.320	2.355	50	30	HEGC	
O=C(CSCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	2150385	BXEMQCQFHFVAEC-UHFFFAOYSA-N	412.920	2.308	50	30	HEGC	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)COc1ccc(C)c2c1CCC2	1043198	ADDFFMRVAZYROZ-UHFFFAOYSA-N	419.459	2.089	50	30	HEGC	
O=C(CCCCCCCCC(=O)NNC(=O)c1ccco1)NNC(=O)c1ccco1	95660892	ZHJHVCLJVZKMFU-UHFFFAOYSA-N	418.450	2.216	50	30	HEGC	
O=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)Nc1cccc(Cl)c1	1047912	POXKTBYCDYPQLI-UHFFFAOYSA-N	401.785	2.492	50	30	HEGC	
CC1=C[C@@H]2[C@](O)(CC(C=O)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)C[C@@H](C)[C@@]32O)C1=O	96346943	QNVSXBIACBRZDU-CYZOKXGXSA-N	416.514	2.373	50	30	HEGC	
COc1ccccc1NC(=S)NNC(=O)NNC(=S)Nc1ccccc1OC	3083245	HLGUJBSVELTFAV-UHFFFAOYSA-N	420.520	2.106	50	30	HEGC	
Cc1ccc(S(=O)(=O)NNC(=O)c2sccc2I)cc1	1026317	SSVBBFFRDDWXGP-UHFFFAOYSA-N	422.269	2.284	50	30	HEGC	
CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	5166184	RBAMFWWUJRFUPC-CHWSQXEVSA-N	407.206	2.051	50	30	HEGC	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C3CCCCC3)n2C)cc1	892236	JBSSJKGRNWKFGH-UHFFFAOYSA-N	403.508	2.425	50	30	HEGC	
O=C(CSCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	2150382	HDCYXYTZCHJYBQ-UHFFFAOYSA-N	412.920	2.308	50	30	HEGC	
CC(=O)NNC(=O)[C@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	1044892	XICBXBZSQRIRCW-LURJTMIESA-N	410.278	2.106	50	30	HEGC	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc([N+](=O)[O-])cc1	1033764	WWNZBHMDBHPAMY-ZVBGSRNCSA-N	411.443	2.395	50	30	HEGC	
Cc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3C(F)(F)F)n2)cc1	1027317	GAHJZKQIKYNWLK-UHFFFAOYSA-N	404.352	2.129	50	30	HEGC	
O=C(Cc1nc(-c2cnccn2)no1)NNC(=O)Nc1cc(Cl)cc(Cl)c1	1040015	XVTHEAYIMZUHIA-UHFFFAOYSA-N	408.205	2.229	50	30	HEGC	
CC(=O)NNC(=O)[C@@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	1044893	XICBXBZSQRIRCW-ZCFIWIBFSA-N	410.278	2.106	50	30	HEGC	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNS(=O)(=O)c1ccc(Cl)cc1	1038038	KDVFOMCQVZMFJZ-CQSZACIVSA-N	411.892	2.153	50	30	HEGC	
Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(-c2ccccn2)s1	1032974	WUHPQLZTAQRCAJ-UHFFFAOYSA-N	413.484	2.390	50	30	HEGC	
O=NN(CCCl)C(=O)NCCSSCCN(N=O)C(=O)NCCCl	4215711	AUZCVFKDFVJWRO-UHFFFAOYSA-N	421.332	2.231	50	30	HEGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1cccc(C)c1	1036219	IDOMCBZLTQCNKT-UHFFFAOYSA-N	405.432	2.474	50	30	HEGC	
O=C(N/N=C/c1ccccc1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2166335	OOJUJZGVUSYNBA-XNHPLOEXSA-N	411.374	2.258	50	30	HEGC	
CC(C)C(=O)NNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1	1047459	XLRBBMDICFVGDL-UHFFFAOYSA-N	401.897	2.187	50	30	HEGC	
O=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Cl)cc1	1047911	OCUUJDDKKBYGFI-UHFFFAOYSA-N	401.785	2.492	50	30	HEGC	
COc1ccc(NC(=S)NNC(=O)CSCC(=O)Nc2ccccc2)cc1	3127668	QYQDYUFIJAPIEC-UHFFFAOYSA-N	404.517	2.385	50	30	HEGC	
COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NNC(=O)N(C)C	1042785	HXGDIAZGODSCTN-UHFFFAOYSA-N	401.206	2.351	50	30	HEGC	
C[C@@H](Br)CN(CCBr)c1ccc(S(N)(=O)=O)cc1	145443160	ZSLAMFZZOUBANE-SECBINFHSA-N	400.136	2.319	50	30	HEGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2N)cc1	1024648	NHEOEGCFZKXFSL-UHFFFAOYSA-N	418.519	2.154	50	30	HEGC	
C[C@H](Br)CN(CCBr)c1ccc(S(N)(=O)=O)cc1	145442941	ZSLAMFZZOUBANE-VIFPVBQESA-N	400.136	2.319	50	30	HEGC	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNS(=O)(=O)c1ccc(Cl)cc1	1038039	KDVFOMCQVZMFJZ-AWEZNQCLSA-N	411.892	2.153	50	30	HEGC	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(B(O)O)cc1Br	642881859	ZJAPOTJTKNSMJK-UHFFFAOYSA-N	417.065	2.201	50	30	HEGC	
O=C(N/N=C/c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2166338	OOJUJZGVUSYNBA-RONKMWSCSA-N	411.374	2.258	50	30	HEGC	
Cn1c(SCC(=O)NNC(=S)NCc2ccccc2)nnc1-c1ccccc1	4333606	WNIQRRGTECQHQJ-UHFFFAOYSA-N	412.544	2.270	50	30	HEGC	
CCOC(=O)c1cnc(NNC(=O)c2c(OC)cccc2OC)nc1C(F)(F)F	1027367	VDZFSSYEGGSSKT-UHFFFAOYSA-N	414.340	2.446	50	30	HEGC