smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(C=C2SC(=S)N(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2=O)cc1	2265276893	LFHCADNUECKUHZ-KBPBESRZSA-N	402.497	2.987	10	30	HFCC	
COc1ccc(C=C2SC(=S)N(N3C(=O)[C@H]4CCCC[C@H]4C3=O)C2=O)cc1	2265276894	LFHCADNUECKUHZ-OKILXGFUSA-N	402.497	2.987	10	30	HFCC	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	2265276553	ZTIBWFMJEMTBIF-GVARAGBVSA-N	400.456	2.749	10	30	HFCC	
COc1ccc(N2CCN(c3ccc(-n4cnn([C@H](C)C(C)=O)c4=O)cc3)CC2)cc1	22065568	JUCPPAAVPVHPCA-QGZVFWFLSA-N	421.501	2.519	10	30	HFCC	in-vitro
Oc1cc2nc3c4cc(O)c(O)cc4nc4c5cc(O)c(O)cc5nc(c2cc1O)-n-4-3	2382215890	ZHIDFOAKRGEPFL-UHFFFAOYSA-N	416.349	2.898	10	30	HFCC	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(-c4ccno4)s3)cc2)CC1	12368803	UKPWPDTZWRJSFJ-UHFFFAOYSA-N	418.544	2.633	10	30	HFCC	
CCN1/C(=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)Sc2ccccc21	104798338	GGHDIYKCZSGHKB-ACCUITESSA-N	402.544	2.536	10	30	HFCC	
CC(=O)[C@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)O)cc1	100472473	GXGINBOQJUFKAI-QBNCKDSPSA-N	420.403	2.830	10	30	HFCC	
Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O	5162649	KFBGXLCLNATBFL-UHFFFAOYSA-N	410.407	2.740	10	30	HFCC	
CC(=O)[C@@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)O)cc1	100472477	GXGINBOQJUFKAI-ZBBYCGENSA-N	420.403	2.830	10	30	HFCC	
COc1cc(N=Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc(OC)c1O	2265384420	SEIXCIABWLTGMR-HNNXBMFYSA-N	424.413	2.586	10	30	HFCC	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	2265276555	ZTIBWFMJEMTBIF-UOVKNHIHSA-N	400.456	2.749	10	30	HFCC	
COc1cc(N=Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc(OC)c1O	2265384421	SEIXCIABWLTGMR-OAHLLOKOSA-N	424.413	2.586	10	30	HFCC	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(Cl)c(S(N)(=O)=O)cc1O	100378404	GFUYIWVDOHOKRK-FZFLATATSA-N	407.839	2.568	10	30	HFCC	
Nc1ccc(Nc2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)nc1	33874746	LUVZPXBDBMIADQ-UHFFFAOYSA-N	401.470	2.778	10	30	HFCC	
Nc1c(OCCc2ccc(CCO)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O	5162644	OKZRROQYZKWXOV-UHFFFAOYSA-N	403.434	2.906	10	30	HFCC	
O=C(Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)c1cccnc1	5842836	BZIXWQIWHDSDHR-UHFFFAOYSA-N	407.334	2.897	10	30	HFCC	
CC(=O)Oc1ccc(Oc2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1	38609732	KBIAWRIWEMMLTI-UHFFFAOYSA-N	420.377	2.755	10	30	HFCC	
COc1ccc(C=C2SC(=S)N(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2=O)cc1	2265276895	LFHCADNUECKUHZ-ZIAGYGMSSA-N	402.497	2.987	10	30	HFCC	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	2265276554	ZTIBWFMJEMTBIF-LWWSYDQCSA-N	400.456	2.749	10	30	HFCC	
COc1ccc(N2CCN(c3ccc(-n4cnn([C@@H](C)C(C)=O)c4=O)cc3)CC2)cc1	22065565	JUCPPAAVPVHPCA-KRWDZBQOSA-N	421.501	2.519	10	30	HFCC	in-vitro
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(Cl)c(S(N)(=O)=O)cc1O	100378410	GFUYIWVDOHOKRK-CVTQAYBASA-N	407.839	2.568	10	30	HFCC	
CCN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S	29747850	ZHNBFYMZDUSWSL-OWBHPGMISA-N	416.571	2.926	10	30	HFCC	
CCOC(=O)[C@](CC)(/N=N/c1cc(C(F)(F)F)ccc1S(=O)(=O)O)C(=O)O	142013913	HSHIRBZANDCPHC-NIVDNSEKSA-N	412.342	2.832	10	30	HFCC	
CCOC(=O)[C@@](CC)(/N=N/c1cc(C(F)(F)F)ccc1S(=O)(=O)O)C(=O)O	142014129	HSHIRBZANDCPHC-HVCBDAARSA-N	412.342	2.832	10	30	HFCC	
CC(C)NC(=O)c1ccccc1NS(=O)(=O)Nc1ccccc1C(=O)NC(C)C	757120751	HSYFHAYFVCLCIO-UHFFFAOYSA-N	418.519	2.732	10	30	HFCC	
O=S(=O)(O)c1ccc2c(N=Nc3nccs3)c(O)c(S(=O)(=O)O)cc2c1	255976182	HFYCTOFOVVRCQW-UHFFFAOYSA-N	415.430	2.911	10	30	HFCC	
Oc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1	96330792	PIDPKDDJFRPRNN-WMZOPIPTSA-N	418.423	2.970	10	30	HFCC	
O=C1c2ccccc2C(=O)c2c(O)c(Nc3ccccc3S(=O)(=O)O)cc(O)c21	33607356	WEFQTBBVPISSDD-UHFFFAOYSA-N	411.391	2.864	10	30	HFCC