smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCSc1ccc(C(=O)N2CCCC[C@@H]2c2ccccn2)s1	217458500	XBJSARCCUZERMU-CQSZACIVSA-N	332.494	4.623	70	50	EJIA	
CC(C)(C)c1cc(OS(=O)(=O)C(F)(F)F)cc(C(C)(C)C)c1	100043077	NMKZEDAODGHHEC-UHFFFAOYSA-N	338.391	4.510	70	50	EJIA	
Cc1nnc(-c2ccc(C(=O)N(c3ccccc3)C3CCCC3)cc2)o1	160498754	SFLKNRZOJMOVKH-UHFFFAOYSA-N	347.418	4.634	70	50	EJIA	
CCCC[B-]1(CCCC)NC(c2ccc(C)cc2)=Nc2scc[n+]21	169795535	OUUGAJGZSTYIBI-UHFFFAOYSA-N	341.333	4.916	70	50	EJIA	
Cc1ccccc1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1	217502351	BVBPMNCMLQTQBJ-FQEVSTJZSA-N	337.463	4.693	70	50	EJIA	
CCSc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)s1	217458583	XBJSARCCUZERMU-AWEZNQCLSA-N	332.494	4.623	70	50	EJIA	
CCC[B-]1(CCC)N(c2ccccc2)C(=S)Nc2ccc(C)c[n+]21	169795526	YYIVNNWGHWXVQW-UHFFFAOYSA-N	339.317	4.610	70	50	EJIA	
CC[C@@H](NC(=O)C1(c2ccccc2)CCCCC1)c1cc(C)ccn1	218413054	RCFSVNQDMYJNRO-LJQANCHMSA-N	336.479	4.859	70	50	EJIA	
Cc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)sc1-c1ccccc1	217172597	HKLVJSXDJKPLBR-HNNXBMFYSA-N	336.460	4.952	70	50	EJIA	
Cc1ccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)cc1	100251764	GXCWVCJZVJZNCM-UHFFFAOYSA-N	335.787	4.522	70	50	EJIA	
Cc1cccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)c1	100257798	JCDNMEGOFVEGLZ-UHFFFAOYSA-N	335.787	4.522	70	50	EJIA	
Cc1nc([C@@H](C)N(C)C(=O)c2ccccc2C(F)(F)F)c(C)s1	218424753	RZIYZLNGEMDRSY-SECBINFHSA-N	342.386	4.612	70	50	EJIA	
Cc1ccccc1-c1cccc(C(=O)N(C)CC[C@H]2CCCCO2)c1	217502428	BVBPMNCMLQTQBJ-HXUWFJFHSA-N	337.463	4.693	70	50	EJIA	
Fc1c(F)c(F)c(CCC[Si](Cl)(Cl)Cl)c(F)c1F	195755995	PGOAAUBOHVGLCX-UHFFFAOYSA-N	343.582	4.970	70	50	EJIA	
O=C(CSc1ccccc1F)Nc1scnc1-c1ccccc1	161431079	MKSKHXAZFVIOQW-UHFFFAOYSA-N	344.436	4.680	70	50	EJIA	
c1ccc(C(NCc2noc(C3CCCCC3)n2)c2ccccc2)cc1	161080553	VBKYVQBTEWDAMO-UHFFFAOYSA-N	347.462	4.997	70	50	EJIA	
O=S(=O)(OB(C1CCCCC1)C1CCCCC1)C(F)(F)F	169806673	FBVDLYBQGQLANQ-UHFFFAOYSA-N	326.189	4.513	70	50	EJIA	in-vitro
CCSc1ccc(C(=O)N(C)Cc2ccc3ncccc3c2)s1	217162434	MRUUTTULTLPDIY-UHFFFAOYSA-N	342.489	4.681	70	50	EJIA	
O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@H]1c1cccnc1	217944672	XKYKVYFGVZEROH-NRFANRHFSA-N	347.462	4.639	70	50	EJIA	biogenic
O=S(=O)(Cl)c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1	100006234	ZHZQQEVNPGGWMJ-UHFFFAOYSA-N	337.611	4.713	70	50	EJIA	
CCC[B-]1(CCC)N=C2SC=CN2C(=S)N1c1ccccc1	224752335	QWJTXCZGNLREIP-UHFFFAOYSA-N	330.311	4.930	70	50	EJIA	
Cc1nc([C@H](C)N(C)C(=O)c2ccccc2C(F)(F)F)c(C)s1	218424828	RZIYZLNGEMDRSY-VIFPVBQESA-N	342.386	4.612	70	50	EJIA	
Cc1ccc(Nc2ccc3cc(S(=O)(=O)Cl)ccc3c2)cc1	95712994	NONZPGMJWHNDKP-UHFFFAOYSA-N	331.824	4.819	70	50	EJIA	
CC(C)[C@H](NC(=O)c1cccs1)c1nc2ccccc2n1C(C)C	218351537	WYWOMBDPAAZNGD-KRWDZBQOSA-N	341.480	4.806	70	50	EJIA	
CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(F)cc1F	160882124	PQVBKFHADCGTAF-QGZVFWFLSA-N	330.378	4.803	70	50	EJIA	
O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1	100005055	WSEZTLINFKIBOX-UHFFFAOYSA-N	337.611	4.713	70	50	EJIA	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1c(C)c(C)c(C)c(C)c1C	160951612	AXIHUKZBTBCKOR-LLVKDONJSA-N	342.483	4.644	70	50	EJIA	
CC[C@H](NC(=O)C1(c2ccccc2)CCCCC1)c1cc(C)ccn1	218413134	RCFSVNQDMYJNRO-IBGZPJMESA-N	336.479	4.859	70	50	EJIA	
O=S(=O)(Cl)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1	100006141	DVZUMPKGJNNKQW-UHFFFAOYSA-N	337.611	4.713	70	50	EJIA	
Cc1noc(C)c1[C@@H](C)CC(=O)NCc1c(C)c(C)c(C)c(C)c1C	160951725	AXIHUKZBTBCKOR-NSHDSACASA-N	342.483	4.644	70	50	EJIA	
CC(C)C[C@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1	218336297	XPCRTAWYOXZUNX-FQEVSTJZSA-N	349.478	4.789	70	50	EJIA	
Cc1cc(C(=O)N(C)[C@H](C)c2ccccn2)sc1-c1ccccc1	217172603	HKLVJSXDJKPLBR-OAHLLOKOSA-N	336.460	4.952	70	50	EJIA	
O=C(NC1CCCCCC1)c1sc(Cl)nc1-c1ccccc1	218514286	VZUFCDAXAHNICK-UHFFFAOYSA-N	334.872	4.916	70	50	EJIA	
O=S(=O)(Cl)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1	100006143	GJIYPOUFLVRLMO-UHFFFAOYSA-N	337.611	4.713	70	50	EJIA	
CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(F)cc1F	160881986	PQVBKFHADCGTAF-KRWDZBQOSA-N	330.378	4.803	70	50	EJIA