smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(COC(=O)N[C@H]2CNC2=O)cc1	218396871	HOZOOPYLOAGEQR-JTQLQIEISA-N	234.255	0.720	70	1	BCIF	
OB1N=C(c2cnccn2)Nc2ccccc21	195040700	QGCBJUIMOSOIQR-UHFFFAOYSA-N	224.032	0.036	70	1	BCIF	
COc1ccccc1B(O)c1ccccc1OC	170186680	OZHKCNBYUOBNEQ-UHFFFAOYSA-N	242.083	0.802	70	1	BCIF	
CC(=O)c1cccn1-c1ccc2c(c1)B(O)OC2	221693153	VYVCWYVCTHHRFZ-UHFFFAOYSA-N	241.055	0.898	70	1	BCIF	
CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@@H]21	170023139	RMZBFAYJNSPNBO-WCQYABFASA-N	227.120	0.326	70	1	BCIF	
CN1CC[C@@H]2CCc3cc[n+](BC#N)cc3[C@@H]21	170067617	MWWRDAZOCUTDIJ-WCQYABFASA-N	226.112	0.594	70	1	BCIF	
O=C(O)[C@H]1C=CC=C(S(=O)(=O)F)C1	43241865	PVMBPNMRWVFDPW-YFKPBYRVSA-N	206.194	0.830	70	1	BCIF	
CCOC(=O)/C=C/C=C/S(=O)(=O)F	1857562676	YMVBAWJKYRJRTL-GGWOSOGESA-N	208.210	0.919	70	1	BCIF	
O=C(On1nnc2ncccc21)c1ccc[nH]1	1911586508	RHAICOYJRANQBO-UHFFFAOYSA-N	229.199	0.423	70	1	BCIF	
O=C(O)[C@@H]1C=CC(S(=O)(=O)F)=CC1	43241672	SYACXBHRCFJSSF-RXMQYKEDSA-N	206.194	0.830	70	1	BCIF	
CN1N=C(Cl)c2ccsc2B1O	196084237	UKYMGRYWPUJEOD-UHFFFAOYSA-N	200.459	0.281	70	1	BCIF	in-vitro
CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1	170023128	SSJYJFFFLMEYNY-NSHDSACASA-N	201.082	0.154	70	1	BCIF	
CC(=O)c1ccn(-c2ccc3c(c2)B(O)OC3)c1	221693542	WKAFAFDINDOJFB-UHFFFAOYSA-N	241.055	0.898	70	1	BCIF	
OB1OCc2ccc(Oc3cnccn3)cc21	205241750	SYENSMFCESADBT-UHFFFAOYSA-N	228.016	0.487	70	1	BCIF	
CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@H]21	170023132	ZYFUAZWXNZFQOD-MFKMUULPSA-N	227.120	0.326	70	1	BCIF	
CN(C)CCOC(=S)OCCN(C)C	217642736	MANCPJCEBNCNOK-UHFFFAOYSA-N	220.338	0.428	70	1	BCIF	
O=C(NO)C1=C[SiH2]C(c2ccc(F)cc2)=N1	169912488	MOXMIGWOHTUQAR-UHFFFAOYSA-N	236.278	0.102	70	1	BCIF	
CN1CC[C@H]2CCc3c(ccc[n+]3BC#N)[C@H]21	170067624	CHWHUBGBBOCOIO-MFKMUULPSA-N	226.112	0.594	70	1	BCIF	
OB1OCc2ccc(OCc3ccccn3)cc21	195402181	ASASDNBAXMTJCZ-UHFFFAOYSA-N	241.055	0.878	70	1	BCIF	
CNC(=S)P(O)(O)=C(N)CC(C)C	169720479	WHJKIDDRDYBUQM-UHFFFAOYSA-N	224.266	0.458	70	1	BCIF	
O=C1CN[B-](c2ccccc2)(c2ccccc2)O1	170186692	QNFWDFBHCZIYAW-UHFFFAOYSA-N	238.075	0.389	70	1	BCIF	
O=C1OCC/C1=C\OS(=O)(=O)C(F)(F)F	100925592	LPOHLMKTTAUPOZ-ONEGZZNKSA-N	246.162	0.683	70	1	BCIF	
O=C(O)[C@H]1C=CC(S(=O)(=O)F)=CC1	43241668	SYACXBHRCFJSSF-YFKPBYRVSA-N	206.194	0.830	70	1	BCIF	
CN1CCC[C@H]1c1ccc[n+](BC#N)c1	170067621	JWLGWAGDGPBUQT-NSHDSACASA-N	200.074	0.421	70	1	BCIF	
O=C(On1nnc2ncccc21)c1cc[nH]c1	1911571021	FRRPEJJJMLRIFU-UHFFFAOYSA-N	229.199	0.423	70	1	BCIF	
COC(=O)c1ccc2nc(CCO)[nH]c2c1	218629736	AFWSFCMEQFFXQC-UHFFFAOYSA-N	220.228	0.884	70	1	BCIF	
O=C(O)[C@@H]1C=CC=C(S(=O)(=O)F)C1	43241861	PVMBPNMRWVFDPW-RXMQYKEDSA-N	206.194	0.830	70	1	BCIF