smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)c1ccc(C(=C2C=CC(CN)(CN)C=C2)c2ccc(N(C)C)cc2)cc1	223470147	PNTPTRPTCNLZNZ-UHFFFAOYSA-N	388.559	3.650	10	30	GHCC	
CC(C)(C)c1ccc(-c2ccc(S(=O)(=O)O)c3c2C(=O)C(=[N+]=[N-])C=C3)cc1	263584290	OPTSAQCWMCYJPH-UHFFFAOYSA-N	382.441	3.778	10	30	GHCC	
[N-]=[N+]=NNCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2265369539	ASBITZYWZCJOLV-GOSISDBHSA-N	395.419	3.573	10	30	GHCC	
CCc1c([C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)oc2ccccc12	33895760	SIOHRKOVEHQVCK-OAQYLSRUSA-N	380.488	3.859	10	30	GHCC	
CC(=O)C1=NN(c2ccccc2)/C(=C2\C(=O)N(c3ccccc3)N=C2C)S1	63150995	XAGKICQCXJYLGV-LVZFUZTISA-N	376.441	3.777	10	30	GHCC	
C[N+](C)(C)Cc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1	5159406	CWTMLLAXDFDKBN-UHFFFAOYSA-O	386.475	3.994	10	30	GHCC	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccc2c(c1)OCO2	4381355	KWEYDWYCDWNSTK-UHFFFAOYSA-N	381.387	3.990	10	30	GHCC	
CCc1c([C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)oc2ccccc12	33895761	SIOHRKOVEHQVCK-NRFANRHFSA-N	380.488	3.859	10	30	GHCC	
Nc1cccc2c(/N=N/c3ccc([N+](=O)[O-])cc3S(=O)(=O)O)ccc(N)c12	111900831	DJRGSBQSDHTWGW-FMQUCBEESA-N	387.377	3.575	10	30	GHCC	
COc1ccc(/N=N/c2c(C)[nH]n3c(=O)c4ccccc4nc23)c([N+](=O)[O-])c1	238790798	DBNSLNBUASUXNH-QZQOTICOSA-N	378.348	3.816	10	30	GHCC	
CS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1	5138662	DFPFHWONJWGBDW-UHFFFAOYSA-N	393.472	3.668	10	30	GHCC	
CC1(CCN2CCN(c3ccccc3Cl)CC2)C(=O)c2ccccc2C1=O	90495011	OKCLHDJYSHIIMU-UHFFFAOYSA-N	382.891	3.938	10	30	GHCC	
Nc1ccc(NC2CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)cc1	5117179	HJFIMMPGFZUPEU-UHFFFAOYSA-N	399.510	3.964	10	30	GHCC	
O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1)c1cccs1	1034286	GCDXZMUPCHWSAX-KRWDZBQOSA-N	387.416	3.919	10	30	GHCC	
CC(=O)Oc1c(C)c(C)c2c(c1C)C(=O)C[C@](C)(COc1ccc(N)cc1)O2	34103198	LHBDZFJPOIRNNI-JOCHJYFZSA-N	383.444	3.922	10	30	GHCC	
Nc1c(SCCO)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O	5425557	CBPYVXPFDNCXPY-UHFFFAOYSA-N	396.512	3.873	10	30	GHCC	
O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1)c1ccccc1	1019405	OIEOCNGMVWZUDX-IBGZPJMESA-N	381.387	3.857	10	30	GHCC	
Nc1ccc(Nc2nc(Nc3ccc(N)cc3)nc(Nc3ccc(N)cc3)n2)cc1	136721716	SEWAZMKTGSTERG-UHFFFAOYSA-N	399.462	3.849	10	30	GHCC	
Cc1ccc(OCCOc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	5160661	SMEDYRMOLZVXSL-UHFFFAOYSA-N	389.407	3.516	10	30	GHCC	
O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1)c1ccccc1	4334795	OIEOCNGMVWZUDX-LJQANCHMSA-N	381.387	3.857	10	30	GHCC	
CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@H]2c2cccc(OC)c2O)cc1	1032993	RYOFLBSHVDGRGD-PGRDOPGGSA-N	396.487	3.951	10	30	GHCC	
CC1(C)OC(=O)C(=Cc2cccn2-c2ccc(OC(F)(F)F)cc2)C(=O)O1	1046640	OSGLHMJQHBVUAG-UHFFFAOYSA-N	381.306	3.595	10	30	GHCC	
COC(=O)c1cc(Nc2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O	5160623	PGXKXIJWONSRRI-UHFFFAOYSA-N	386.407	3.883	10	30	GHCC	
CC1(C)OC(=O)C(=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1	1037670	XMPSVXUZYWFNRT-UHFFFAOYSA-N	383.244	3.856	10	30	GHCC	
O=[N+]([O-])c1ccc(O)c(/N=N/c2ccc3c(S(=O)(=O)O)cccc3c2O)c1	104797779	PNGDELBLVHMPNH-ISLYRVAYSA-N	389.345	3.821	10	30	GHCC	
CC(C)(C)c1ccc(O)c(/N=N/c2cc([N+](=O)[O-])cc(S(=O)(=O)O)c2O)c1	38171704	ZVHCKGRDNQNOFY-ISLYRVAYSA-N	395.393	3.966	10	30	GHCC	
FC(F)(F)c1cccc(NC(=S)NNc2nccc(C(F)(F)F)n2)c1	1028181	VRDLLSPRAMEJJU-UHFFFAOYSA-N	381.305	3.828	10	30	GHCC	
Nc1ccc2cc(S(=O)(=O)O)ccc2c1/N=N/c1ccc([N+](=O)[O-])cc1O	111490774	MJNWERMHICVLPP-VHEBQXMUSA-N	388.361	3.698	10	30	GHCC	
CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@H]2c2cccc(OC)c2O)cc1	248320329	RYOFLBSHVDGRGD-XMSQKQJNSA-N	396.487	3.951	10	30	GHCC	
CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@@H]2c2cccc(OC)c2O)cc1	4299709	RYOFLBSHVDGRGD-GCJKJVERSA-N	396.487	3.951	10	30	GHCC	
CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@@H]2c2cccc(OC)c2O)cc1	4299708	RYOFLBSHVDGRGD-AVRDEDQJSA-N	396.487	3.951	10	30	GHCC	
O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1)c1cccs1	4334506	GCDXZMUPCHWSAX-QGZVFWFLSA-N	387.416	3.919	10	30	GHCC	
CC(=O)Oc1c(C)c(C)c2c(c1C)C(=O)C[C@@](C)(COc1ccc(N)cc1)O2	34103199	LHBDZFJPOIRNNI-QFIPXVFZSA-N	383.444	3.922	10	30	GHCC	
O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccccc2C(F)(F)F)s1	2148176	HJMKKMQLAJDZOY-UHFFFAOYSA-N	389.340	3.508	10	30	GHCC	
Cc1c(C(=O)NCCCN2CCOCC2)cc(C(C)(C)C)n1-c1ccccc1	19880111	UWGWWHOEBLUMIX-UHFFFAOYSA-N	383.536	3.535	10	30	GHCC	
Cc1cccc(OCCOc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)c1	38643568	PRFLHIULISVRAU-UHFFFAOYSA-N	389.407	3.516	10	30	GHCC	
O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc(Nc3ccccc3)c21	38609643	PHLHEYMNKXWDMC-UHFFFAOYSA-N	376.324	3.525	10	30	GHCC