smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)/N=N/c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	104126500	MCVQMIXTMPTFSO-PSDRRMSNSA-N	315.286	-2.292	10	40	DACB	
CC(C)N1C(=O)NC(=O)/C(=C/N[C@H](CC(=O)O)C(=O)O)C1=O	20567581	OHBRVQUUQIMLBP-FXXDRWHHSA-N	313.266	-1.125	10	40	DACB	
O=C1NC(=O)C(=C/C=C\C=C\C2C(=O)NC(=O)NC2=O)C(=O)N1	17352492	CTSQFCOACUPEPW-HSFFGMMNSA-N	318.245	-1.627	10	40	DACB	
[N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@@H]1O	5030605	IURRXTYHKBREQT-HFXAWCPLSA-N	308.258	-1.369	10	40	DACB	
O=C1NC(=O)C(=C/C=C/C=C\C2C(=O)NC(=O)NC2=O)C(=O)N1	4887236	CTSQFCOACUPEPW-TZFCGSKZSA-N	318.245	-1.627	10	40	DACB	
CN1C(=N)N(C)C(=O)C(=CN[C@H](CCC(=O)O)C(=O)O)C1=O	19723168	IBHUUZYCBUVUBI-SSDOTTSWSA-N	312.282	-1.357	10	40	DACB	
[N-]=[N+]=NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O	38580951	IURRXTYHKBREQT-UUOKFMHZSA-N	308.258	-1.369	10	40	DACB	
CC(C)N1C(=O)NC(=O)/C(=C/N[C@@H](CC(=O)O)C(=O)O)C1=O	20567580	OHBRVQUUQIMLBP-NGAMADIESA-N	313.266	-1.125	10	40	DACB	
O=C(O)CC[C@H](NC=C1C(=O)NC(=S)NC1=O)C(=O)O	20572829	RYNZKTFJWMZAKH-YFKPBYRVSA-N	301.280	-1.691	10	40	DACB	
CN1C(=O)C(=CN[C@@H](CCC(=O)O)C(=O)O)C(=O)N(C)C1=O	20028336	GWUAGSHXAZURAA-ZETCQYMHSA-N	313.266	-1.172	10	40	DACB	
CN1C(=O)C(=Cc2c(O)n(C)c(=O)n(C)c2=O)C(=O)N(C)C1=O	3181260	OWCWAPPILNWJTL-UHFFFAOYSA-N	322.277	-1.777	10	40	DACB	
[N-]=[N+]=NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O	5030600	IURRXTYHKBREQT-HAVMAKPUSA-N	308.258	-1.369	10	40	DACB	
[N-]=[N+]=CC(=O)OC[C@@H]1NC(=O)[C@@H](COC(=O)C=[N+]=[N-])NC1=O	17063602	FQOSBNGBQBYQIE-OLQVQODUSA-N	310.226	-3.343	10	40	DACB	
CN1C(=O)C(=CN[C@@H]2C=CS(=O)(=O)C2)C(=O)N(C)C1=S	20623007	QPJAXONXPDYREG-SSDOTTSWSA-N	315.376	-1.014	10	40	DACB	
CC(=O)NC1=NC(=O)/C(=C/NCC(=O)NCC(=O)O)S1	618255243	TYWFFNIYDJXQEJ-KXFIGUGUSA-N	300.296	-1.616	10	40	DACB	
CN(C)/N=N\c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	104126504	MCVQMIXTMPTFSO-KSBCDKNQSA-N	315.286	-2.292	10	40	DACB	
CN1C(=O)C(=CN[C@H]2C=CS(=O)(=O)C2)C(=O)N(C)C1=S	20623004	QPJAXONXPDYREG-ZETCQYMHSA-N	315.376	-1.014	10	40	DACB	
CC1C(=O)C(=O)C(C2C(=O)C(=O)C(C)C(=O)C2=O)C(=O)C1=O	575623576	LFDDVIGBSKGUGG-UHFFFAOYSA-N	306.226	-1.929	10	40	DACB	in-vitro
[N-]=[N+]=NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@@H]1O	5030606	IURRXTYHKBREQT-FULWYAMNSA-N	308.258	-1.369	10	40	DACB	
O=C1O[C@@H]2[C@H](O[C@@H](CO)[C@H](O)[C@H]2O)c2c1cc(O)c(O)c2O	5784169	GDYGAIKPBLFCKR-YWQRSDGBSA-N	314.246	-1.504	10	40	DACB	
O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NCCN1CCNCC1	20290956	IBYISYNOLZTLRC-PKNBQFBNSA-N	323.422	-1.229	10	40	DACB	
O=C1NC(=O)C(=C/C=C\C=C/C2C(=O)NC(=O)NC2=O)C(=O)N1	17352490	CTSQFCOACUPEPW-CCAGOZQPSA-N	318.245	-1.627	10	40	DACB	
CN1C(=O)C(=CN[C@H](Cc2c[nH]cn2)C(=O)O)C(=O)N(C)C1=O	20567520	BFLAZNTZHDJQHM-SECBINFHSA-N	321.293	-1.071	10	40	DACB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc(N)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	22048690	RWZITXGZJXXMRL-HTOAHKCRSA-N	312.322	-1.409	10	40	DACB	
O=C1NC(=O)C(=C/C=C/C=C/C2C(=O)NC(=O)NC2=O)C(=O)N1	17004072	CTSQFCOACUPEPW-ZPUQHVIOSA-N	318.245	-1.627	10	40	DACB	
CN(C)/N=N/c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	104126510	MCVQMIXTMPTFSO-MPLAWVFGSA-N	315.286	-2.292	10	40	DACB	
O=C(OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1	14422042	NUVIRDWXIBOJTE-LUTQBAROSA-N	316.262	-1.558	10	40	DACB	biogenic,in-vitro
CN(C)/N=N\c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	104126495	MCVQMIXTMPTFSO-IOZZHTCVSA-N	315.286	-2.292	10	40	DACB	
CC(=O)N[C@H]1[C@H](Oc2ccc(N)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O	5138091	RWZITXGZJXXMRL-DHGKCCLASA-N	312.322	-1.409	10	40	DACB	in-vitro
O=C1NC(=O)C(=C2C(=O)NN(c3ccc(F)cc3)C2=O)C(=O)N1	5944851	OSCJMAIWTYFNNW-UHFFFAOYSA-N	318.220	-1.134	10	40	DACB	
NC(=O)c1c(N)[n+]([O-])c2cc(N3CCOCC3)c(F)cc2[n+]1[O-]	4745394	ZRYZLBNTZQRHBG-UHFFFAOYSA-N	323.284	-1.237	10	40	DACB	
[N-]=[N+]=CC(=O)OC[C@@H]1NC(=O)[C@H](COC(=O)C=[N+]=[N-])NC1=O	5371534	FQOSBNGBQBYQIE-WDSKDSINSA-N	310.226	-3.343	10	40	DACB	
O=C1NC(=O)C(=C2C(=O)NN(c3ccccc3)C2=O)C(=O)N1	6603083	SYDLUYFLPQQQHO-UHFFFAOYSA-N	300.230	-1.273	10	40	DACB	
CN1C(=O)C(=CN[C@@H](Cc2c[nH]cn2)C(=O)O)C(=O)N(C)C1=O	20567519	BFLAZNTZHDJQHM-VIFPVBQESA-N	321.293	-1.071	10	40	DACB	
CC(=O)O[C@](C(C)=O)(C(=O)C(C)=O)[C@](O)(C(C)=O)[C@@H](O)CO	66351861	SKWDYLGAVSPPPJ-WCFLWFBJSA-N	318.278	-2.291	10	40	DACB	
O=C(O)CC[C@@H](NC=C1C(=O)NC(=S)NC1=O)C(=O)O	20572826	RYNZKTFJWMZAKH-RXMQYKEDSA-N	301.280	-1.691	10	40	DACB	
[N-]=[N+]=CC(=O)OC[C@H]1NC(=O)[C@@H](COC(=O)C=[N+]=[N-])NC1=O	5371527	FQOSBNGBQBYQIE-PHDIDXHHSA-N	310.226	-3.343	10	40	DACB	
CN1C(=N)N(C)C(=O)C(=CN[C@@H](CCC(=O)O)C(=O)O)C1=O	19723166	IBHUUZYCBUVUBI-ZETCQYMHSA-N	312.282	-1.357	10	40	DACB	
[N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O	5030599	IURRXTYHKBREQT-PXMDKTAGSA-N	308.258	-1.369	10	40	DACB	
CN1C(=O)C(=CNCCN2CCNCC2)C(=O)N(C)C1=S	19370555	KEZZOKZWPBEFFS-UHFFFAOYSA-N	311.411	-1.420	10	40	DACB	
CN1C(=O)C(=CN[C@H](CCC(=O)O)C(=O)O)C(=O)N(C)C1=O	20028337	GWUAGSHXAZURAA-SSDOTTSWSA-N	313.266	-1.172	10	40	DACB	
CCN1C(=O)/C(=C/NCCN2CCNCC2)C(=O)NC1=S	19995860	BCZAIIOCIYFSQD-MDZDMXLPSA-N	311.411	-1.372	10	40	DACB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(N)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	22048685	RWZITXGZJXXMRL-RGDJUOJXSA-N	312.322	-1.409	10	40	DACB	in-vitro