smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1	1034188	IWFRGSKNIREMOU-IBGZPJMESA-N	379.464	2.344	10	30	GECC	
CN(C)CCOc1ccc2c(c1)C(=O)c1ccc(OCCN(C)C)cc1C2=O	38612194	PNAFTGJDRQFSCS-UHFFFAOYSA-N	382.460	2.343	10	30	GECC	
Cc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1	4362632	SZFIAGSZLGNBSW-UHFFFAOYSA-N	377.485	2.364	10	30	GECC	
Nc1c(C(=O)OCCCCCCO)cc(O)c2c1C(=O)c1ccccc1C2=O	5162642	LYPUAMVCOPJRES-UHFFFAOYSA-N	383.400	2.459	10	30	GECC	
Nc1cc(S(=O)(=O)Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O	5425479	DQTIHYAULLHSID-UHFFFAOYSA-N	394.408	2.394	10	30	GECC	
O=C(O)c1cc(/N=N/c2cc(S(=O)(=O)O)cc([N+](=O)[O-])c2O)c(O)cc1O	111889647	XXPCGZJDXAVMGY-CCEZHUSRSA-N	399.293	2.072	10	30	GECC	
CC(=O)[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	100050779	HXXOOSWHCMYQQV-SKAIHHOBSA-N	382.336	2.444	10	30	GECC	
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO	83301328	YTFBISSPQNGWPJ-YNEHKIRRSA-N	380.368	2.037	10	30	GECC	in-vitro
Nc1c(Cl)c(Cl)c(N)c2c1C(=O)c1ccc(S(=O)(=O)O)cc1C2=O	33607144	OVMUFCBJESEPGC-UHFFFAOYSA-N	387.200	2.180	10	30	GECC	
COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC)c(O)c1O	15271428	GNHURUAFLJVHLD-UHFFFAOYSA-N	376.317	2.308	10	30	GECC	biogenic,in-vitro
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1cccc2c1-c1ccccc1C2=O	1029976	RFQFUBGZKLJCKI-UHFFFAOYSA-N	383.359	2.396	10	30	GECC	
CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1	1034189	IWFRGSKNIREMOU-LJQANCHMSA-N	379.464	2.344	10	30	GECC	
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(S(C)(=O)=O)CC1	4307692	ALWNPBZKFTVANA-UHFFFAOYSA-N	378.454	2.084	10	30	GECC	
CC(=O)[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	100050774	HXXOOSWHCMYQQV-UCMDFWOYSA-N	382.336	2.444	10	30	GECC	
Nc1ccc(O)c2c1C(=O)c1c(O)cc(-c3ccc(O)c(O)c3)c(N)c1C2=O	38635903	PZFWXFIOPGAEJT-UHFFFAOYSA-N	378.340	2.116	10	30	GECC	
C[N+]1(CCCNc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CCOCC1	38613673	SYCPNQVSWYADQU-UHFFFAOYSA-O	381.452	2.446	10	30	GECC	
CCOC(=O)C(/N=N/c1cc(Cl)c(C)cc1S(=O)(=O)O)C(=O)OCC	103832652	JUIHWJWUBFEXDS-WUKNDPDISA-N	392.817	2.474	10	30	GECC