smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
c1cc2ccc3c4cccc5ccc(c(c1)c23)c54	104954250	SFIIJQDDFMKMCT-UHFFFAOYSA-N	226.278	5.175	5	10	BKBE	
Cc1c2c(cc3c1ccc1ccccc13)C=CCC2	104833415	XWJXIXDCCGKOHG-UHFFFAOYSA-N	244.337	5.261	5	10	BKBE	
Clc1cc2c(Cl)cccc2c2ccccc12	2070288440	PZCCKIQXAAUPPL-UHFFFAOYSA-N	247.124	5.300	5	10	BKBE	
c1ccc2c(c1)sc1ccc3ccsc3c12	39411270	RWBMMASKJODNSV-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	
CCCC[N+](CCCC)([C@@H](C)CC)[C@H](C)CC	642814474	ZIUNVXWUCGMGSE-IYBDPMFKSA-N	242.471	5.000	5	10	BKBE	
c1ccc2c(c1)sc1ccc3sccc3c12	39411268	PLDCFGSSKIIXCK-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	
c1cc2ccc3cccc4ssc(c1)c2c34	169572810	VUTKQLWOXXWLHM-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	in-vitro
C1=Cc2cc3cccc4ccc5ccc(c2c5c43)C1	1580983	LFBJZFWBDRYIIY-UHFFFAOYSA-N	240.305	5.153	5	10	BKBE	
C1=C\C=C\C=C\[CH-]/C=C/C=C/C=C/C=C/C=C/C=C/1	575053008	ZOBUZUCJUZKHBZ-FRDKIONSSA-N	247.361	5.210	5	10	BKBE	
c1cc2c3ccsc3c3sccc3c2s1	1861852	RBFKZOKVFNBXTJ-UHFFFAOYSA-N	246.381	5.331	5	10	BKBE	
CC(C)(C)c1c2ccccc2cc2ccccc12	90764866	GWJJSVKKSBCHJD-UHFFFAOYSA-N	234.342	5.291	5	10	BKBE	
Cc1csc2ccc3ccc4ccccc4c3c12	168357687	UHSBBMHBNJJZMP-UHFFFAOYSA-N	248.350	5.516	5	10	BKBE	
c1ccc2c3c4c(ccc5cccc(c54)C3)cc2c1	70666009	YZLKDBSYQYEZSG-UHFFFAOYSA-N	240.305	5.050	5	10	BKBE	in-vitro
Cc1cc2c(c3ccc4ccccc4c13)CCCC2	104831325	LKQNYFKWDJCYHQ-UHFFFAOYSA-N	246.353	5.180	5	10	BKBE	
Cc1c2ccccc2cc2ccc3ccccc3c12	1601913	ACYOLKMEHHTLAB-UHFFFAOYSA-N	242.321	5.455	5	10	BKBE	
c1ccc2c(c1)sc1c2ccc2ccsc21	39411266	GHBPPUPSUFNMPC-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	
CCc1ccc(CC)c2cc3ccccc3cc12	96347251	HRWVNUBBQQDECV-UHFFFAOYSA-N	234.342	5.118	5	10	BKBE	
Cc1cc(C)c2ccc3cccc4ccc1c2c43	140884327	UWCWYAZCQUDPOX-UHFFFAOYSA-N	230.310	5.201	5	10	BKBE	
c1ccc2c(c1)cc1ssc3cccc2c31	169572824	XVNIHMCQNLMCTE-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	in-vitro
c1ccc2c3c4c5ccccc5cc-4c-3cc2c1	585669547	HVLRHAMMECWNEP-UHFFFAOYSA-N	226.278	5.078	5	10	BKBE	
CCCC[N+](CCCC)([C@@H](C)CC)[C@@H](C)CC	642814466	ZIUNVXWUCGMGSE-HOTGVXAUSA-N	242.471	5.000	5	10	BKBE	
c1cc2ccc3c4ccc5cccc(c(c1)c23)c54	104955288	OGSMXDUSWZTIEB-UHFFFAOYSA-N	226.278	5.175	5	10	BKBE	
c1ccc2c(c1)cc1c3c2ccc2cccc(c23)C1	70666018	GTDQLJVKXFXBMM-UHFFFAOYSA-N	240.305	5.050	5	10	BKBE	in-vitro
c1ccc2c(c1)sc1c3ccsc3ccc21	32264138	QLVVWZSMECIGID-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	
Fc1cccc2ccc3cc4ccccc4cc3c12	1621307	UKHOVMTYJXJAGL-UHFFFAOYSA-N	246.284	5.285	5	10	BKBE	
CCCCCC[N+](CC)(CC)CCCCCC	59069335	GZUDBGUQXSQUQJ-UHFFFAOYSA-N	242.471	5.004	5	10	BKBE	
c1ccc2c(c1)c1ccc3ccc4ccc2c1c34	96334012	GILUNAKNHXUOQI-UHFFFAOYSA-N	226.278	5.175	5	10	BKBE	
Fc1cccc2c1ccc1c3ccccc3ccc21	138758597	UKMONLYNZHSCFH-UHFFFAOYSA-N	246.284	5.285	5	10	BKBE	
Cc1c(C)c(C)c2c(ccc3ccccc32)c1C	95720764	OGWJPJREDQYLQD-UHFFFAOYSA-N	234.342	5.227	5	10	BKBE	
c1ccccc2ccccccccc2ccc1	200958176	CUPPIVDILVTSCO-UHFFFAOYSA-N	232.326	5.089	5	10	BKBE	
Fc1cc2ccccc2c2c1ccc1ccccc12	90557935	QKRKHBQSMCWOJD-UHFFFAOYSA-N	246.284	5.285	5	10	BKBE	
c1cc2c(ccc3c4ccsc4ccc23)s1	118737098	UNFNDEBRXYKADR-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE	
CCCC[N+](CCCC)([C@H](C)CC)[C@H](C)CC	642814471	ZIUNVXWUCGMGSE-HZPDHXFCSA-N	242.471	5.000	5	10	BKBE	
c1cc2ccc3sccc4ccc(s1)c2c43	38327785	QSYGNDJNQJUBTE-UHFFFAOYSA-N	240.352	5.269	5	10	BKBE