smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2	ZINC000000996429	527048164	/nfs/dbraw/zinc/04/81/64/527048164.db2.gz	KSKZKRMIEFQANV-RZNTYIFUSA-N	-1	0	402.842	-0.046	50	10		HBCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000006225697	132309706	/nfs/dbraw/zinc/30/97/06/132309706.db2.gz	XRLFJIBCUYSQAD-WZUFQYTHSA-N	-1	0	414.212	-0.779	50	10		HBCARM
O=C1[N-]C(=O)C(=CNCCN2CCN(C(=S)Nc3ccccc3)CC2)C(=O)N1	ZINC000020149672	558340402	/nfs/dbraw/zinc/34/04/02/558340402.db2.gz	OHHWSMINKOYYJU-UHFFFAOYSA-N	-1	0	402.480	-0.160	50	10		HBCARM
O=C(c1ccc(Cl)cc1)N1CCN(CCNC=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000020149700	558340377	/nfs/dbraw/zinc/34/03/77/558340377.db2.gz	KTYXFFFTCZIXCD-UHFFFAOYSA-N	-1	0	405.842	-0.063	50	10		HBCARM
Cc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000020151854	568590643	/nfs/dbraw/zinc/59/06/43/568590643.db2.gz	HUDQIMSFCHZMTC-UHFFFAOYSA-N	-1	0	409.362	-0.009	50	10		HBCARM
Cc1ccc(NC(=O)CN2CCN(CCNC=C3C(=O)[N-]C(=O)NC3=O)CC2)cc1	ZINC000096024110	559089841	/nfs/dbraw/zinc/08/98/41/559089841.db2.gz	JDHKEEIDJHOXDG-UHFFFAOYSA-N	-1	0	414.466	-0.609	50	10		HBCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000102653162	560819068	/nfs/dbraw/zinc/81/90/68/560819068.db2.gz	XRLFJIBCUYSQAD-VZUCSPMQSA-N	-1	0	414.212	-0.779	50	10		HBCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2	ZINC000104591485	560851794	/nfs/dbraw/zinc/85/17/94/560851794.db2.gz	KSKZKRMIEFQANV-LHHJGKSTSA-N	-1	0	402.842	-0.046	50	10		HBCARM