smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CSc1cc2ccc3cccc4ccc(c1O)c2c34	2332241094	IAGMAMFONHBIFT-UHFFFAOYSA-N	264.349	5.012	5	20	CKBD	
Cn1c2ccc3ccccc3c2c2c3ccccc3ccc21	5420404	SBOZXXIZLLMJJG-UHFFFAOYSA-N	281.358	5.638	5	20	CKBD	
Oc1cccc2c1ccc1cc3c(ccc4ccccc43)cc12	6118486	ZXFMWILETFEUHH-UHFFFAOYSA-N	294.353	6.005	5	20	CKBD	
Brc1cccc2c1oc1c3ccccc3ccc21	1775937671	FWXHTVJXQWVNCC-UHFFFAOYSA-N	297.151	5.502	5	20	CKBD	
C[C@@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	437266011	JPHXTVYPVWAVPB-CHWSQXEVSA-N	287.384	5.150	5	20	CKBD	
COc1c(SC)cc2ccc3cccc4ccc1c2c34	2332241108	KFUJSOUDZOOEIM-UHFFFAOYSA-N	278.376	5.315	5	20	CKBD	
C[C@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	742453602	HISIKASDRCSHTL-QWRGUYRKSA-N	293.413	5.212	5	20	CKBD	
Clc1ccc2oc3ccc4ccccc4c3c2c1	1772769032	FNULZJHNXGVSLD-UHFFFAOYSA-N	252.700	5.393	5	20	CKBD	
C[C@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	742453601	HISIKASDRCSHTL-MNOVXSKESA-N	293.413	5.212	5	20	CKBD	
C[C@H](S[C@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-]	437266013	JPHXTVYPVWAVPB-OLZOCXBDSA-N	287.384	5.150	5	20	CKBD	
Brc1cccc2oc3ccc4ccccc4c3c12	1857775999	FFGJFWBGPWYOEN-UHFFFAOYSA-N	297.151	5.502	5	20	CKBD	
c1ccc2cc3c(cc2c1)[nH]c1cc2ccccc2cc13	33985800	VWYJRLCUBVCRPR-UHFFFAOYSA-N	267.331	5.628	5	20	CKBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1Cl)c1cccs1	737425307	UDAGRAWUJQUKFE-QMMMGPOBSA-N	299.804	5.163	5	20	CKBD	
C[C@@H](S[C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	737403996	NZHONFOQWIUOOP-GHMZBOCLSA-N	293.413	5.212	5	20	CKBD	
O=Cc1cccc(-c2c3ccccc3cc3ccccc23)c1O	90669381	LZEPMGRLZDHXCI-UHFFFAOYSA-N	298.341	5.178	5	20	CKBD	
C[C@H](S[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1	737404001	NZHONFOQWIUOOP-MNOVXSKESA-N	293.413	5.212	5	20	CKBD	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-]	314314446	GRILMRNWLONUET-CYBMUJFWSA-N	298.386	5.065	5	20	CKBD	
Fc1ccc2c(ccc3c(C4CC4)nc4ccccc4c32)c1	504352923	ZZGPBPRQERIOPC-UHFFFAOYSA-N	287.337	5.558	5	20	CKBD	
C[C@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	437266015	JPHXTVYPVWAVPB-QWHCGFSZSA-N	287.384	5.150	5	20	CKBD	
c1ccc2c(c1)cc1cccc3oc4ccccc4c2c13	33985771	HJQJWSOIRGXSES-UHFFFAOYSA-N	268.315	5.892	5	20	CKBD	
C[C@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	437266017	JPHXTVYPVWAVPB-STQMWFEESA-N	287.384	5.150	5	20	CKBD	
C[C@@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	742453599	HISIKASDRCSHTL-GHMZBOCLSA-N	293.413	5.212	5	20	CKBD	
C[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-]	314314448	GRILMRNWLONUET-ZDUSSCGKSA-N	298.386	5.065	5	20	CKBD	
Clc1ccccc1-c1c2ccccc2nc2ccccc12	5162789	XQLYYXFSXAIGJZ-UHFFFAOYSA-N	289.765	5.708	5	20	CKBD	
Clc1cccc2oc3c4ccccc4ccc3c12	2332241320	VUAVEBLCLSSNFR-UHFFFAOYSA-N	252.700	5.393	5	20	CKBD	
C[C@H](S[C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	737404004	NZHONFOQWIUOOP-WDEREUQCSA-N	293.413	5.212	5	20	CKBD	
Oc1ccc2c(c1)cc1ccc3cccc4ccc2c1c34	4655179	OWEZWMDNHHTXJU-UHFFFAOYSA-N	268.315	5.443	5	20	CKBD	biogenic,in-vitro
Brc1cccc2c1oc1ccc3ccccc3c12	1772769035	FTGQPLAARFFHJK-UHFFFAOYSA-N	297.151	5.502	5	20	CKBD	
CCOc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1	89157502	LOQQMMZVYOOOSH-UHFFFAOYSA-N	292.165	5.094	5	20	CKBD	
Clc1ccc2oc3c4ccccc4ccc3c2c1	1772769017	DADLCAVHMULBPR-UHFFFAOYSA-N	252.700	5.393	5	20	CKBD	
c1ccc2cc3cc4c(cc3cc2c1)[nH]c1ccccc14	6118946	MEXWZXCQQQYPNG-UHFFFAOYSA-N	267.331	5.628	5	20	CKBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1Cl)c1cccs1	737425306	UDAGRAWUJQUKFE-MRVPVSSYSA-N	299.804	5.163	5	20	CKBD	
c1ccc(-c2nc3ccc4c5ccccc5[nH]c4c3o2)cc1	642880872	QBZXGTVPXHBDLF-UHFFFAOYSA-N	284.318	5.129	5	20	CKBD	
Brc1ccc2c(c1)oc1ccc3ccccc3c12	166638694	YFDUWPBKHIYLBJ-UHFFFAOYSA-N	297.151	5.502	5	20	CKBD	
Clp1oc2ccccc2c2ccccc2o1	32250926	RKNWJMHQLOIGIH-UHFFFAOYSA-N	250.621	5.292	5	20	CKBD	
C[C@H](S[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	737404002	NZHONFOQWIUOOP-QWRGUYRKSA-N	293.413	5.212	5	20	CKBD	
C[C@H](S[C@H](C)c1cccs1)c1ccccc1[N+](=O)[O-]	742453603	HISIKASDRCSHTL-WDEREUQCSA-N	293.413	5.212	5	20	CKBD