smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=S(=O)(O)CCCOS(=O)(=O)CCCO	38634767	DFPRQLAQGLLHCP-UHFFFAOYSA-N	262.305	-1.007	30	30	CAEC	
C=C[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	28884985	UFDRZUUSSYKVPV-PKIKSRDPSA-N	269.257	-2.007	30	30	CAEC	
CC(=O)O[C@H]([C@H](O)C=O)[C@H](OC(C)=O)[C@@H](O)C(C)=O	604970693	YZGCKUDUZYWDTL-LMLFDSFASA-N	276.241	-1.641	30	30	CAEC	
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCC#N)c1=O	6069523	JQUAFYUNOCCDRA-HBNTYKKESA-N	295.295	-1.127	30	30	CAEC	
OC[C@H](O)COC(COC[C@@H]1CO1)COC[C@@H]1CO1	113452899	HHEORJZSUXVOSI-MVWJERBFSA-N	278.301	-1.444	30	30	CAEC	
C=C1[C@@H](N2C=N[C@H]3C(=O)N=C(N)N[C@H]32)C[C@H](O)[C@H]1CO	64746229	JSRKAQIZOGKCJW-WLRJLXCNSA-N	279.300	-2.233	30	30	CAEC	
C[C@H](O)[C@H](O)[C@H](O)C(C=NNC(=N)N)=NNC(=N)N	263609222	UVCXFVHDGWJDBC-ZXEDONINSA-N	274.285	-3.603	30	30	CAEC	
N#C[C@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@@H]1O	224073475	BRDWIEOJOWJCLU-ZIYJGFGOSA-N	291.267	-1.857	30	30	CAEC	
C[C@H](O)CNCCNCCNCCNCCC#N	38643205	MSLZKPMVJKWTJZ-LBPRGKRZSA-N	257.382	-1.361	30	30	CAEC	
N[C@@H](CCCNN/C=N/[C@@H](CC(=O)O)C(=O)O)C(=O)O	12493433	WSQWJAOQSDPYTD-BQBZGAKWSA-N	290.276	-1.771	30	30	CAEC	in-vivo,metabolite
OC[C@H](O)COC(COC[C@H]1CO1)COC[C@H]1CO1	256066174	HHEORJZSUXVOSI-DLOVCJGASA-N	278.301	-1.444	30	30	CAEC	
CC1(C)O[C@H]2O[C@H]([C@H](O)COS(C)(=O)=O)[C@H](O)[C@H]2O1	77301456	SVZJUFZKGHXMOP-ANZWQOBJSA-N	298.313	-1.439	30	30	CAEC	in-vitro
C#Cc1c(C(N)=O)ncn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	38264682	SWQQELWGJDXCFT-AAQQEJRNSA-N	267.241	-2.425	30	30	CAEC	
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	5132021	AEJSSXDYDSUOOZ-SLPGGIOYSA-N	259.151	-3.295	30	30	CAEC	in-vitro
NC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	3966153	NDCUAPJVLWFHHB-WHFBIAKZSA-N	265.247	-1.525	30	30	CAEC	in-vitro
CN(C)/C=N/c1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	1774020937	VSRQAPYNCMIZRM-AUDGMIGTSA-N	283.288	-1.500	30	30	CAEC	
C=C1[C@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21	5157452	APRPLJLTQGFZER-GRQVRMODSA-N	279.256	-1.491	30	30	CAEC	
OC[C@@H](O)COC(COC[C@@H]1CO1)COC[C@@H]1CO1	2504721	HHEORJZSUXVOSI-YUSALJHKSA-N	278.301	-1.444	30	30	CAEC	
N#CCCNCCNCCNCCNCCNCCC#N	22591081	QYNDCVPRVZOXJJ-UHFFFAOYSA-N	295.435	-1.238	30	30	CAEC	
CS(=O)(=O)OCCN1CCN(S(C)(=O)=O)CC1	20458710	FIVMJYXXEXCNHL-UHFFFAOYSA-N	286.375	-1.460	30	30	CAEC	
C=C1[C@@H](N2C=N[C@@H]3C(=O)N=C(N)N[C@H]32)C[C@H](O)[C@H]1CO	64746230	JSRKAQIZOGKCJW-WYCDGMCDSA-N	279.300	-2.233	30	30	CAEC	
C[C@H](O)[C@@H](O)[C@H](O)C(C=NNC(=N)N)=NNC(=N)N	263609221	UVCXFVHDGWJDBC-OTWZMJIISA-N	274.285	-3.603	30	30	CAEC	
C[C@@H](O)CNCCNCCNCCNCCC#N	38643207	MSLZKPMVJKWTJZ-GFCCVEGCSA-N	257.382	-1.361	30	30	CAEC	
C#Cc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	5828081	SWQQELWGJDXCFT-PNHWDRBUSA-N	267.241	-2.425	30	30	CAEC	
C[C@H](O)[C@@H](O)[C@@H](O)C(C=NNC(=N)N)=NNC(=N)N	263609220	UVCXFVHDGWJDBC-LFRDXLMFSA-N	274.285	-3.603	30	30	CAEC	
N#CCC(=O)NCCNCCNCCNC(=O)CC#N	22589759	SGZSQQVTAZQBEJ-UHFFFAOYSA-N	280.332	-1.775	30	30	CAEC	
C#Cc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)nc1N	96031589	HMJSYXIPNSASJY-IWSPIJDZSA-N	251.242	-1.553	30	30	CAEC	in-vitro
C#C[C@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc21	95921494	NKRAIOQPSBRMOV-RQSQLSILSA-N	290.279	-1.372	30	30	CAEC	
C=C1[C@H](O)[C@H](CO)O[C@@H]1n1cnc2c(=O)nc(N)[nH]c21	111434737	APRPLJLTQGFZER-AYKAFODUSA-N	279.256	-1.491	30	30	CAEC	
O=C1NC(=O)C(Br)([N+](=O)[O-])C(=O)N1	196246924	OLXQBXOLRSTLEZ-UHFFFAOYSA-N	251.980	-1.280	30	30	CAEC	
N[C@@H](C=O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H](O)CO	5132023	GXYKBDAKQXPXFV-SLPGGIOYSA-N	259.236	-3.585	30	30	CAEC	
OC[C@H](O)CO[C@H](COC[C@H]1CO1)COC[C@@H]1CO1	256066175	HHEORJZSUXVOSI-YFKTTZPYSA-N	278.301	-1.444	30	30	CAEC	
C=C1[C@@H](N2C=N[C@@H]3C(=O)N=C(N)N[C@@H]32)C[C@H](O)[C@H]1CO	64746227	JSRKAQIZOGKCJW-BQHMLIOBSA-N	279.300	-2.233	30	30	CAEC	
CC1(CCC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=N1	1774020966	VCMXDGHAGAEPSN-KHUVANEUSA-N	289.288	-2.293	30	30	CAEC	
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/Nc1ccccc1	4691992	MAKRUZFBMOBWLJ-NEWJVJFRSA-N	270.285	-1.480	30	30	CAEC	
C[C@H](O)[C@H](O)[C@@H](O)C(C=NNC(=N)N)=NNC(=N)N	263609219	UVCXFVHDGWJDBC-FUTKDDECSA-N	274.285	-3.603	30	30	CAEC	
O=c1ccn([C@@H]2O[C@H](CO)[C@@]3(O)O[C@@]23O)c(=O)[nH]1	96332106	YXPXHHVCSRTUSD-YWUKIDGPSA-N	258.186	-3.166	30	30	CAEC	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS)[C@@H](O)[C@H]1O	5139067	HLJHWWUZHBUUAC-KQYNXXCUSA-N	283.313	-1.043	30	30	CAEC	in-vitro
C=C1[C@@H](N2C=N[C@H]3C(=O)N=C(N)N[C@@H]32)C[C@H](O)[C@H]1CO	64746225	JSRKAQIZOGKCJW-RXKWGBCNSA-N	279.300	-2.233	30	30	CAEC	
O=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H](O)C(=O)O	31417559	DLJXFFATZRGSBR-SKNVOMKLSA-N	274.203	-3.459	30	30	CAEC	in-vitro
C=C1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21	3777837	APRPLJLTQGFZER-NJUACVTBSA-N	279.256	-1.491	30	30	CAEC	
C=CCOC(=O)CN1CCNCCNCCNCC1	44137402	MLBRGPOWBHLFRF-UHFFFAOYSA-N	270.377	-1.200	30	30	CAEC	
C=CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	5194025	XUAFMQXKGPTTJN-IVZWLZJFSA-N	268.269	-1.094	30	30	CAEC