smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1c2ccccc2C(=O)c2c(Nc3ccc(OCCO)cc3)ccc(O)c21	5162658	PJXKPELBCKOKJE-UHFFFAOYSA-N	375.380	3.282	10	30	GGCC	
O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2nsnc12	1038754	UHDXDSKCVVKIFQ-UHFFFAOYSA-N	375.353	3.391	10	30	GGCC	
COc1ccc(NC(=O)[C@@H](N=Nc2ccc(OC)cc2[N+](=O)[O-])C(C)=O)cc1	256124467	CPHJTXXEHPVLNW-KRWDZBQOSA-N	386.364	3.292	10	30	GGCC	
O=C1c2c(O)ccc(Br)c2C(=O)c2c(O)ccc(Br)c21	144576823	DMCLUYYHPACVEB-UHFFFAOYSA-N	398.006	3.398	10	30	GGCC	
CCOC(=O)C12CC(CN=[N+]=[N-])(C1)OC21CCN(C(=O)OC(C)(C)C)CC1	1554770637	QAWBXQWGFUXPKK-UHFFFAOYSA-N	380.445	3.179	10	30	GGCC	
Cc1cc(CN2C(=O)C3=C(CCCC3)C2=O)c(O)c(-n2nc3ccccc3n2)c1	78168846	UZOYICMDDCNJJG-UHFFFAOYSA-N	388.427	3.174	10	30	GGCC	
Nc1c(OCCOc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O	5421820	QIQBPLFYOLFHTB-UHFFFAOYSA-N	375.380	3.208	10	30	GGCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccccc1Cl	100056725	UYWILNNNPUQBFM-MJWGMMHASA-N	392.824	3.462	10	30	GGCC	
COC(=O)c1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12	5957721	LJNIDEWFUGGGMV-UHFFFAOYSA-N	382.420	3.446	10	30	GGCC	
Oc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1	261506599	GEDPQKGMHLHFOZ-XYPYZODXSA-N	379.092	3.310	10	30	GGCC	in-man
CCN1C(=O)C(=CC=C2N(CC)c3ccccc3N2CC)C(=O)N(CC)C1=S	5139675	ZPQXPCFUSWSISP-UHFFFAOYSA-N	398.532	3.116	10	30	GGCC	
CCOc1ccc(-c2cc(O)c3c(c2N)C(=O)c2c(O)ccc(N)c2C3=O)cc1	5139918	PXJLVHHFOHMDIF-UHFFFAOYSA-N	390.395	3.103	10	30	GGCC	
CCCc1c(COCC)c(O)nc2c1C(=O)c1c([nH]c(=O)c(C)c1CCC)C2=O	96346665	OMRXHCIEOALSNM-UHFFFAOYSA-N	398.459	3.001	10	30	GGCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccccc1Cl	100056721	UYWILNNNPUQBFM-AMGRQBIBSA-N	392.824	3.462	10	30	GGCC	
O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O)c2c(O)ccc(NCCO)c21	5162473	NGNAFXRFKWRTKB-UHFFFAOYSA-N	390.395	3.021	10	30	GGCC	
CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1	20432033	WKGXEPYBZJOOJN-JOCHJYFZSA-N	394.519	3.041	10	30	GGCC	
Nc1c(OCCO)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O	5117461	YOHDUQBXKPGDFU-UHFFFAOYSA-N	380.444	3.160	10	30	GGCC	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N1C(=O)c2ccccc2C1=O	2265233880	VMHBZCZJZUURMY-UHFFFAOYSA-N	384.413	3.238	10	30	GGCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1	111862182	OIVVYCDQTYMKIT-AMGRQBIBSA-N	392.824	3.462	10	30	GGCC	
Nc1ccc2c(O)c(/N=N/c3ccccc3C(=O)O)c(S(=O)(=O)O)cc2c1	5162223	RTTVSZDELFXAPX-FMQUCBEESA-N	387.373	3.488	10	30	GGCC	
CC(=O)Oc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	5313960	FQNOCNXTYADZSJ-UHFFFAOYSA-N	389.363	3.467	10	30	GGCC	
CCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1	5316880	YYBSEGBOVVQCAU-UHFFFAOYSA-N	390.395	3.103	10	30	GGCC	
CCOC(=O)COc1ccc(C(=O)c2ccc(CN)c(O)c2)c(Cl)c1Cl	29339787	SWTYYXBIAIHTRU-UHFFFAOYSA-N	398.242	3.331	10	30	GGCC	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	1026954	IZNWWJSDAWZMNF-UHFFFAOYSA-N	377.466	3.260	10	30	GGCC	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1	111862187	OIVVYCDQTYMKIT-MJWGMMHASA-N	392.824	3.462	10	30	GGCC	
CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(N2CCOCC2)cc1	1044422	JGLZAXBQNBTZOF-UWHSVAFCSA-N	389.499	3.160	10	30	GGCC	
Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3C(=O)O)c(O)c2c1	5162224	LMNNNKFIURSGQL-FMQUCBEESA-N	387.373	3.488	10	30	GGCC	
CCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21	100119929	NVXMOCINNAPHSD-HAKHBUOSSA-N	378.500	3.289	10	30	GGCC	
Nc1c(Br)c(Br)c(N)c2c1C(=O)c1ccccc1C2=O	5286468	WETZVVQTMWRYHU-UHFFFAOYSA-N	396.038	3.151	10	30	GGCC	
CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1	20432035	WKGXEPYBZJOOJN-QFIPXVFZSA-N	394.519	3.041	10	30	GGCC	
COc1ccc(NC(=O)[C@H](N=Nc2ccc(OC)cc2[N+](=O)[O-])C(C)=O)cc1	256124471	CPHJTXXEHPVLNW-QGZVFWFLSA-N	386.364	3.292	10	30	GGCC	
COCCCNc1ccc(NCCCOC)c2c1C(=O)c1ccccc1C2=O	38646085	BUXFGXZGTHYNIB-UHFFFAOYSA-N	382.460	3.359	10	30	GGCC	
Nc1cc(Sc2ccccc2)c(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O	5425484	PUHVZLBTWPOIFZ-UHFFFAOYSA-N	378.409	3.189	10	30	GGCC	
CC(C)Cc1cc(N)c2c(c1O)C(=O)c1c(O)c(CC(C)C)cc(N)c1C2=O	38634202	CZJZMSRDRZJNSB-UHFFFAOYSA-N	382.460	3.435	10	30	GGCC