smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/N=N/c2ccc(N)c(C)c2)cc1	ZINC000005160539	178359842	/nfs/dbraw/zinc/35/98/42/178359842.db2.gz	UIXXDYWWVXRLMZ-WUKNDPDISA-N	0	0	225.295	4.301	1	10		BICFRN
c1coc(-c2n[nH]cc2N=Nc2ccccc2)c1	ZINC000013545387	183387706	/nfs/dbraw/zinc/38/77/06/183387706.db2.gz	DJDSRWDJUBNKDU-NXVVXOECSA-N	0	0	238.250	4.085	1	10		BICFRN
O=C1N=c2ccccc2=C1NNc1ccccc1	ZINC000013638889	183252671	/nfs/dbraw/zinc/25/26/71/183252671.db2.gz	QCBAMHXJXBGAQB-WUKNDPDISA-N	0	0	237.262	4.289	1	10		BICFRN
COc1ccccc1/N=N\c1ccc(N)c(C)c1	ZINC000018099792	175315242	/nfs/dbraw/zinc/31/52/42/175315242.db2.gz	PAUQPPXARMMVRP-MSUUIHNZSA-N	0	0	241.294	4.001	1	10		BICFRN
Cc1cccc(/N=N/c2cc(C)ccc2N)c1	ZINC000026567822	179003439	/nfs/dbraw/zinc/00/34/39/179003439.db2.gz	NIWBSMVZPLZADW-WUKNDPDISA-N	0	0	225.295	4.301	1	10		BICFRN
CC1(C)OC(C)(C)C(=NNc2ccccc2)C1=O	ZINC000027555534	187765073	/nfs/dbraw/zinc/76/50/73/187765073.db2.gz	NIIBVFCMEBKDSB-FOCLMDBBSA-N	0	0	246.310	4.127	1	10		BICFRN
Cc1ccc(/N=N/N(C)c2ccccc2)cc1	ZINC000045320335	178359385	/nfs/dbraw/zinc/35/93/85/178359385.db2.gz	CNAYKZTZAAPJQH-FOCLMDBBSA-N	0	0	225.295	4.130	1	10		BICFRN
CN(C)c1ccc(/C=C/c2cccc(F)c2)cc1	ZINC000095578853	187974104	/nfs/dbraw/zinc/97/41/04/187974104.db2.gz	MPGSRZTYXKFHBY-VOTSOKGWSA-N	0	0	241.309	4.062	1	10		BICFRN
Cc1cc2c(c(O)c1O)[C@@H](C)CC[C@@H]2C(C)C	ZINC000096922551	178283185	/nfs/dbraw/zinc/28/31/85/178283185.db2.gz	CGMRLDYEJWKTEX-GXSJLCMTSA-N	0	0	234.339	4.043	1	10		BICFRN
c1coc(-c2n[nH]cc2N=Nc2ccccc2)c1	ZINC000101478051	183387267	/nfs/dbraw/zinc/38/72/67/183387267.db2.gz	DJDSRWDJUBNKDU-FOCLMDBBSA-N	0	0	238.250	4.085	1	10		BICFRN
COc1ccc(NN=C2C=C(C)C=CC2=O)cc1	ZINC000102301251	175050443	/nfs/dbraw/zinc/05/04/43/175050443.db2.gz	PJOMBGVJOKGTBT-NXVVXOECSA-N	0	0	242.278	4.125	1	10		BICFRN
O=C1N=c2ccccc2=C1NNc1ccccc1	ZINC000102690504	183252402	/nfs/dbraw/zinc/25/24/02/183252402.db2.gz	QCBAMHXJXBGAQB-MSUUIHNZSA-N	0	0	237.262	4.289	1	10		BICFRN
Cc1c(N)ccc(/N=N/c2ccccc2)c1C	ZINC000005419364	177611319	/nfs/dbraw/zinc/61/13/19/177611319.db2.gz	ZYVVPQKFJIHXJE-WUKNDPDISA-N	0	0	225.295	4.301	2	10		BICFRN