smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CO[C@H]1O[C@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@H](OC)[C@H]1OC	136533307	LZBKZDFTJDSWJW-SSZWKKLZSA-N	389.242	2.008	70	1	GEIF	biogenic
CCc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1S(=O)(=O)Cl	586927423	MROKGUQNHHSSQJ-UHFFFAOYSA-N	399.881	2.367	70	1	GEIF	
COc1cc(Cc2nc3cc(N)c(N)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924995	KKQLIMMSEXGVKP-UHFFFAOYSA-N	396.856	2.263	70	1	GEIF	
C[C@@H](C(=O)NCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	14211057	CWPASLOMOQBICF-GFCCVEGCSA-N	394.415	2.231	70	1	GEIF	
COc1ccnc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1	218010378	VODDOGVAQARPID-NRFANRHFSA-N	381.432	2.485	70	1	GEIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21	587411027	XBUFTDISLJYFDQ-QGZVFWFLSA-N	392.820	2.318	70	1	GEIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1Cl	586929023	PKMYDUNQIAZCGZ-UHFFFAOYSA-N	375.193	2.320	70	1	GEIF	
Cc1cc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)ccc1S(=O)(=O)Cl	586927987	NGKLBTYXXCEPNT-UHFFFAOYSA-N	385.854	2.113	70	1	GEIF	
CCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	136662475	OCBSZMQTKMKOSN-DGCLKSJQSA-N	393.223	2.260	70	1	GEIF	
C[C@H]1[C@H](Nc2ncc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1	218476773	LPMWBTIXEXCDLD-XJKSGUPXSA-N	381.415	2.302	70	1	GEIF	
C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2COc3ccccc3N2)cc1	218642154	PAVOCFFGTVMDJR-RHSMWYFYSA-N	375.494	2.260	70	1	GEIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnnc(O)c2[nH]1	586924804	IXTHRYAHQPDRBX-UHFFFAOYSA-N	375.193	2.315	70	1	GEIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21	587411024	XBUFTDISLJYFDQ-KRWDZBQOSA-N	392.820	2.318	70	1	GEIF	
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1CC[C@@]1(C3)NC(=O)NC1=O	218571052	LDWIYLKXIXKTJM-IHIBHSRISA-N	395.503	2.352	70	1	GEIF	
Cc1cc2c(cc1O)[C@@](C)(c1ccc(S(=O)(=O)F)cc1)N[C@H](C(=O)O)C2	963505673	CKUDZSQSTPFSAB-MAUKXSAKSA-N	379.409	2.221	70	1	GEIF	
O=S(=O)(Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(F)(F)F	587368483	QYNGIOOQGNYCTP-UHFFFAOYSA-N	387.295	2.331	70	1	GEIF	
NNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586928408	ZZKIQGGZEJVAPE-UHFFFAOYSA-N	385.232	2.414	70	1	GEIF	
COc1cc(/C=C/C(=O)NCCCCNC(=O)c2ccc(O)cc2)ccc1O	218161593	PPNWOBAJODZQIL-VZUCSPMQSA-N	384.432	2.446	70	1	GEIF	
C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@H]2COc3ccccc3N2)cc1	218642231	PAVOCFFGTVMDJR-PBHICJAKSA-N	375.494	2.260	70	1	GEIF	
N#Cc1nc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2nc1C#N	586926968	SMQQPLZRTTYSAM-UHFFFAOYSA-N	379.188	2.344	70	1	GEIF	
CCc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1S(=O)(=O)Cl	586927598	OTNKGTLMROCBQI-UHFFFAOYSA-N	378.841	2.323	70	1	GEIF	
Cc1cc2c(cc1O)[C@](C)(c1ccc(S(=O)(=O)F)cc1)N[C@H](C(=O)O)C2	963505676	CKUDZSQSTPFSAB-YJBOKZPZSA-N	379.409	2.221	70	1	GEIF	
COc1ccnc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1	218010291	VODDOGVAQARPID-OAQYLSRUSA-N	381.432	2.485	70	1	GEIF	
COc1cc(Cc2nc3c(N)ccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925314	OGQRONBHLUBCRQ-UHFFFAOYSA-N	382.829	2.076	70	1	GEIF	
Cc1cc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)ccc1S(=O)(=O)Cl	586926872	AZTPHBOSYFREDM-UHFFFAOYSA-N	385.854	2.113	70	1	GEIF	
CCc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1S(=O)(=O)Cl	586927963	UOJXARFYCOXYTG-UHFFFAOYSA-N	399.881	2.367	70	1	GEIF	
NNC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586928023	WMRFQTSEZLNXLR-UHFFFAOYSA-N	385.232	2.414	70	1	GEIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(O)ncnc2[nH]1	586928046	OMUPYEAVWXUJPU-UHFFFAOYSA-N	375.193	2.315	70	1	GEIF	
N#Cc1nc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2nc1C#N	586927398	MFDSYOGRCYGTDN-UHFFFAOYSA-N	379.188	2.344	70	1	GEIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(O)nc(O)nc2[nH]1	586925859	XKJRNCDFVNYRPQ-UHFFFAOYSA-N	391.192	2.021	70	1	GEIF	
N[C@@H](CC(=O)N1CC(=O)Nc2cccnc2C1)[C@H]1CCc2cc(F)c(F)cc21	218043091	YVLOJPQHGWQZQS-LRDDRELGSA-N	386.402	2.088	70	1	GEIF	
NS(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587181120	SXMHABQUMDEQDE-UHFFFAOYSA-N	389.817	2.189	70	1	GEIF	
NS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587180039	DTUCRZWKUOYXRP-UHFFFAOYSA-N	389.817	2.189	70	1	GEIF	
Nc1nc(O)c2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2n1	586926172	NWHBNUSRGPCXIR-UHFFFAOYSA-N	394.627	2.542	70	1	GEIF	
COc1cc(Cc2nc3ccnc(O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925364	OVPUSPCHPBNECT-UHFFFAOYSA-N	383.813	2.199	70	1	GEIF