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=Nc2c(N)[nH]n3c2nc(C)cc3=O)cc1	ZINC000101944940	370297909	/nfs/dbraw/zinc/29/79/09/370297909.db2.gz	GNPICRULBQPUIN-ISLYRVAYSA-N	0	2	282.307	3.049	40	10		CGCBLN
COC(=O)c1sc2c(cnc3c(C)cc(F)cc23)c1O	ZINC000064874767	292040998	/nfs/dbraw/zinc/04/09/98/292040998.db2.gz	DTMUMTWDQLKWBT-UHFFFAOYSA-N	0	2	291.303	3.389	40	10		CGCBLN
COC(=O)c1sc2c(cnc3c(F)cc(F)cc23)c1O	ZINC000040175563	292040966	/nfs/dbraw/zinc/04/09/66/292040966.db2.gz	PAGHGHBBCKNRSG-UHFFFAOYSA-N	0	2	295.266	3.220	40	10		CGCBLN
COC(=O)c1sc2c(cnc3cc(F)ccc23)c1O	ZINC000064874568	292041084	/nfs/dbraw/zinc/04/10/84/292041084.db2.gz	FIUNYKCJRYESNA-UHFFFAOYSA-N	0	2	277.276	3.081	40	10		CGCBLN
CCOC(O)=C1SC(c2ccc(Cl)cc2)=NC1=O	ZINC000100328638	370276891	/nfs/dbraw/zinc/27/68/91/370276891.db2.gz	RUUKJXNHXPIRKG-FMIVXFBMSA-N	0	2	283.736	3.124	40	10		CGCBLN
Cc1ccc(NN=C2c3n[nH]nc3C=CC2=O)cc1	ZINC000013130011	280755780	/nfs/dbraw/zinc/75/57/80/280755780.db2.gz	LYJIGLUCSHCFJC-JQIJEIRASA-N	0	2	253.265	3.387	40	10		CGCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc(C)cn1	ZINC000104882168	186029252	/nfs/dbraw/zinc/02/92/52/186029252.db2.gz	BRVLHXITHJSYEC-OAHLLOKOSA-N	0	2	297.383	3.273	40	10		CGCBLN
COC(=O)c1sc2c(cnc3c(C)ccc(F)c23)c1O	ZINC000064874846	292041061	/nfs/dbraw/zinc/04/10/61/292041061.db2.gz	YVVBIOXHGXUJTA-UHFFFAOYSA-N	0	2	291.303	3.389	40	10		CGCBLN
CC(=Nc1cccnc1)C1C(C)=NN(c2ccccc2)C1=O	ZINC000112106250	370410456	/nfs/dbraw/zinc/41/04/56/370410456.db2.gz	FPKYRVSWBTUHJY-VBKFSLOCSA-N	0	2	292.342	3.190	40	10		CGCBLN
CC(=Nc1cccnc1)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000112106250	370410463	/nfs/dbraw/zinc/41/04/63/370410463.db2.gz	FPKYRVSWBTUHJY-VBKFSLOCSA-N	0	2	292.342	3.190	40	10		CGCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc(C)cn1	ZINC000016348000	368711932	/nfs/dbraw/zinc/71/19/32/368711932.db2.gz	BRVLHXITHJSYEC-HNNXBMFYSA-N	0	2	297.383	3.273	40	10		CGCBLN
CCSc1sc(C(=O)OC)c(O)c1Cl	ZINC000096510984	392257599	/nfs/dbraw/zinc/25/75/99/392257599.db2.gz	FAEWQMPHGBLTPJ-UHFFFAOYSA-N	0	2	252.744	3.006	40	10		CGCBLN
COC(=O)c1sc(SC(C)C)c(Cl)c1O	ZINC000096510985	392257840	/nfs/dbraw/zinc/25/78/40/392257840.db2.gz	XMJSVXVIGPBPCC-UHFFFAOYSA-N	0	2	266.771	3.394	40	10		CGCBLN
CCC[N@H+](CCCC(=O)[O-])c1ccc(OCC)cc1	ZINC000224999112	376291997	/nfs/dbraw/zinc/29/19/97/376291997.db2.gz	XTJLPUOKLIWPGI-UHFFFAOYSA-N	0	2	265.353	3.167	40	10		CGCBLN
CCC[N@@H+](CCCC(=O)[O-])c1ccc(OCC)cc1	ZINC000224999112	376292001	/nfs/dbraw/zinc/29/20/01/376292001.db2.gz	XTJLPUOKLIWPGI-UHFFFAOYSA-N	0	2	265.353	3.167	40	10		CGCBLN
CCOC(O)=C1SC(c2ccc(Cl)cc2)=NC1=O	ZINC000100328632	370276935	/nfs/dbraw/zinc/27/69/35/370276935.db2.gz	RUUKJXNHXPIRKG-XFXZXTDPSA-N	0	2	283.736	3.124	40	10		CGCBLN
Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccc(F)cc1	ZINC000006796105	368569306	/nfs/dbraw/zinc/56/93/06/368569306.db2.gz	VFEFFAFEGDMCAK-UHFFFAOYSA-N	0	2	286.258	3.319	40	10		CGCBLN
COC(=O)c1sc2c(cnc3c(F)ccc(F)c23)c1O	ZINC000064875143	292041010	/nfs/dbraw/zinc/04/10/10/292041010.db2.gz	ULZMNGAOMOLEOJ-UHFFFAOYSA-N	0	2	295.266	3.220	40	10		CGCBLN