smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	59868006	XUKAVPATXGYVKJ-RVZJWNSFSA-N	339.439	1.545	10	30	EDCC	in-man
O=C1C(=Cc2ccccc2)SC(=S)N1N1C(=O)[C@H]2C[C@@H]2C1=O	2265272075	UQFVECUAHPNBRR-UWVGGRQHSA-N	330.390	1.808	10	30	EDCC	
CNc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O	4418578	VXBXATQWJSKUFF-UHFFFAOYSA-N	332.337	1.333	10	30	EDCC	
CC(/C=C1/SCCN1C)=C1\SC(=S)N(CC(=O)O)C1=O	2512565	LNKNWPNGZMWPFA-FQOLVZPASA-N	330.456	1.725	10	30	EDCC	
Cc1nnsc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	130997	XOAMKUJGAGPHNW-UHFFFAOYSA-N	331.445	1.528	10	30	EDCC	
CC(=O)c1ccc(O)c(C(=O)NC2(O)C(=O)c3ccccc3C2=O)c1	143722	HJKSLRZNJYTLPX-UHFFFAOYSA-N	339.303	1.092	10	30	EDCC	
C[C@@H](CCO)Oc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O	38642529	FFBROZXPFIYGRX-VIFPVBQESA-N	327.336	1.900	10	30	EDCC	
O=C(Cc1ccccc1Cl)NC1(O)C(=O)c2ccccc2C1=O	103537	MBMWDJSCEGUABL-UHFFFAOYSA-N	329.739	1.767	10	30	EDCC	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](CN=[N+]=[N-])O[C@]12COC(C)(C)O2	95921452	AFTZFZJKSOVECV-DCQANWLSSA-N	329.309	1.038	10	30	EDCC	
COC(=O)c1ccc(C(=O)OC)c2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21	36352073	GOJPJRTVUUKVBZ-TVLCNXBWSA-N	331.324	1.798	10	30	EDCC	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(O)c(O)c1	156539	NCXJRBIQAMKPFI-UHFFFAOYSA-N	333.321	1.125	10	30	EDCC	
C[C@@]1(O)c2ccc3c(c2CC[C@@H]1O)C(=O)C(=O)c1c(CO)coc1-3	605706739	IIJMZMUZJXZPTD-KPZWWZAWSA-N	328.320	1.333	10	30	EDCC	
C[C@H](O)CCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O	5141509	QDUNJVJBFUFOKM-VIFPVBQESA-N	327.336	1.900	10	30	EDCC	
O=C(O)c1ccccc1NS(=O)(=O)Nc1ccccc1C(=O)O	38633193	JHQQIVLTXNUMPL-UHFFFAOYSA-N	336.325	1.852	10	30	EDCC	
C[C@H](OC(=O)C(C)(C)C)OC(=O)[C@](C)(N)Cc1ccc(O)c(O)c1	95628827	IFDYIWPAJKYNTO-BMLIUANNSA-N	339.388	1.836	10	30	EDCC	
C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	33858308	XUKAVPATXGYVKJ-WPKBUWHJSA-N	339.439	1.545	10	30	EDCC	in-man
COCc1cc(O)c(O)c(O)c1-c1c(COC)cc(O)c(O)c1O	3800021	NEBCAMAQXZIVRE-UHFFFAOYSA-N	338.312	1.880	10	30	EDCC	
Nc1ccc(O)c2c1C(=O)c1c(N)c(Br)cc(O)c1C2=O	5420584	SBSBBPZTTALABX-UHFFFAOYSA-N	349.140	1.800	10	30	EDCC	
CCOc1cc(OCC)c(OCC)cc1C=C1C(=O)NC(=O)NC1=O	3157666	DKHUDWBOGSFWET-UHFFFAOYSA-N	348.355	1.632	10	30	EDCC	
O=C(NCCO)c1cc2ccccc2c(CN2CCOCC2)c1O	33505776	SQKMSQGEOXJJOX-UHFFFAOYSA-N	330.384	1.100	10	30	EDCC	
O=C1c2c(ccc([N+](=O)[O-])c2O)C(=O)c2c([N+](=O)[O-])ccc(O)c21	13282325	WZFXDVLVEULHSB-UHFFFAOYSA-N	330.208	1.690	10	30	EDCC	
O=C1C(=Cc2ccccc2)SC(=S)N1N1C(=O)[C@@H]2C[C@H]2C1=O	2265272074	UQFVECUAHPNBRR-NXEZZACHSA-N	330.390	1.808	10	30	EDCC	
C[C@@H](O)CCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O	5141699	QDUNJVJBFUFOKM-SECBINFHSA-N	327.336	1.900	10	30	EDCC	
O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2nonc12	152765	JABIPJNMVRDWKF-UHFFFAOYSA-N	333.325	1.795	10	30	EDCC	
O=C1C(=Cc2ccccc2)SC(=S)N1N1C(=O)[C@H]2C[C@H]2C1=O	2265272073	UQFVECUAHPNBRR-AOOOYVTPSA-N	330.390	1.808	10	30	EDCC	
C[C@H](CCO)Oc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O	38642530	FFBROZXPFIYGRX-SECBINFHSA-N	327.336	1.900	10	30	EDCC	
CC(=O)N(/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1	5159795	NOXHIROCWZYZHM-YRNVUSSQSA-N	327.340	1.530	10	30	EDCC	
CSc1ncccc1C(=O)NC1(O)C(=O)c2ccccc2C1=O	145968	KBKKBFUNVLIPJS-UHFFFAOYSA-N	328.349	1.301	10	30	EDCC	
COC(=O)c1cc2c(N)c(C(=O)OC)sc2nc1C(OC)OC	124054	IJLFXXLYOMBQFX-UHFFFAOYSA-N	340.357	1.743	10	30	EDCC	
CC(/C=C1\SCCN1C)=C1\SC(=S)N(CC(=O)O)C1=O	2557047	LNKNWPNGZMWPFA-OEPUHGBTSA-N	330.456	1.725	10	30	EDCC	
O=C1OCc2ccc(NS(=O)(=O)c3cccc4nonc34)cc21	147982	WTGLAWSREQIXOR-UHFFFAOYSA-N	331.309	1.694	10	30	EDCC	
Nc1cc(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(C(=O)O)c1	4217481	ZELCNSAUMHNSSU-ISLYRVAYSA-N	335.345	1.612	10	30	EDCC	in-man
C[C@H](OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1	95628829	IFDYIWPAJKYNTO-QGHHPUGFSA-N	339.388	1.836	10	30	EDCC	
Cc1cc(S(=O)(=O)O)cc(Cl)c1N1N=C(C(=O)O)CC1=O	199880690	OOQBGVIKEOHHFG-UHFFFAOYSA-N	332.721	1.072	10	30	EDCC	
C[C@@H](OC(=O)C(C)(C)C)OC(=O)[C@](C)(N)Cc1ccc(O)c(O)c1	95628826	IFDYIWPAJKYNTO-DYZYQPBXSA-N	339.388	1.836	10	30	EDCC	
C[C@@H](OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1	95628828	IFDYIWPAJKYNTO-BTDLBPIBSA-N	339.388	1.836	10	30	EDCC	
Nc1ccc(O)c2c1C(=O)c1c(O)c(Br)cc(N)c1C2=O	5161750	AIARLPIXVMHZLJ-UHFFFAOYSA-N	349.140	1.800	10	30	EDCC