smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1	ZINC000102742675	784786086	/nfs/dbraw/zinc/78/60/86/784786086.db2.gz	LFSCZVBXLWBZED-UVTDQMKNSA-N	-1	2	351.318	1.964	50	10		FDCALM
Cc1ccccc1N1C(=O)NC(=O)C(=CNCC[NH+]2CCCCC2)C1=O	ZINC000100768390	132233102	/nfs/dbraw/zinc/23/31/02/132233102.db2.gz	MLMUPJLMERVSHP-FYWRMAATSA-N	-1	2	356.426	1.537	50	10		FDCALM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S	ZINC000018154678	209605726	/nfs/dbraw/zinc/60/57/26/209605726.db2.gz	XHSCKXIEKBBUBD-POHAHGRESA-N	-1	2	354.365	1.976	50	10		FDCALM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNCC[NH+]1CCCCC1	ZINC000100769541	132233097	/nfs/dbraw/zinc/23/30/97/132233097.db2.gz	HZLRHKRPNLNQCC-NTCAYCPXSA-N	-1	2	360.389	1.368	50	10		FDCALM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S	ZINC000021548967	670677761	/nfs/dbraw/zinc/67/77/61/670677761.db2.gz	XHSCKXIEKBBUBD-UXBLZVDNSA-N	-1	2	354.365	1.976	50	10		FDCALM
O=C([O-])c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1O	ZINC000019593751	518821284	/nfs/dbraw/zinc/82/12/84/518821284.db2.gz	XCPKJANUUVYBPW-LCYFTJDESA-N	-1	2	367.317	1.669	50	10		FDCALM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O	ZINC000019804778	518838169	/nfs/dbraw/zinc/83/81/69/518838169.db2.gz	BXUPROXBMVDVMM-UKTHLTGXSA-N	-1	2	367.317	1.669	50	10		FDCALM
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCC[NH+]1CCCCC1	ZINC000100757691	132233045	/nfs/dbraw/zinc/23/30/45/132233045.db2.gz	LTBLOUIFVSOLGU-OUKQBFOZSA-N	-1	2	360.389	1.368	50	10		FDCALM
Cc1ccc(N2C(=O)NC(=O)C(=CNCC[NH+]3CCCCC3)C2=O)cc1	ZINC000100756948	132233162	/nfs/dbraw/zinc/23/31/62/132233162.db2.gz	ZHUWQXRVXTXZQI-DTQAZKPQSA-N	-1	2	356.426	1.537	50	10		FDCALM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O	ZINC000100640805	132233141	/nfs/dbraw/zinc/23/31/41/132233141.db2.gz	BXUPROXBMVDVMM-LCYFTJDESA-N	-1	2	367.317	1.669	50	10		FDCALM
O=C([O-])CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S	ZINC000017837801	518787529	/nfs/dbraw/zinc/78/75/29/518787529.db2.gz	AMULDEZAZWHPAE-POHAHGRESA-N	-1	2	354.365	1.976	50	10		FDCALM
O=C([O-])c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000019117588	518802752	/nfs/dbraw/zinc/80/27/52/518802752.db2.gz	ORNIUWYQAKJQKZ-UVTDQMKNSA-N	-1	2	351.318	1.964	50	10		FDCALM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000002280995	132383109	/nfs/dbraw/zinc/38/31/09/132383109.db2.gz	XIYSVWVNIXUXMI-XNTDXEJSSA-N	-1	2	366.329	1.816	50	10		FDCALM
O=C([O-])c1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000019681504	518824410	/nfs/dbraw/zinc/82/44/10/518824410.db2.gz	JEQGOBWWFNTNPB-JLHYYAGUSA-N	-1	2	351.318	1.964	50	10		FDCALM
CCOC(=O)C(=NNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1)C(C)=O	ZINC000111479277	570932821	/nfs/dbraw/zinc/93/28/21/570932821.db2.gz	GVBYNWWXIIRMAG-YOXRYGNQSA-N	-1	2	355.372	1.948	50	10		FDCALM
O=C([O-])c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1O	ZINC000100442206	570557788	/nfs/dbraw/zinc/55/77/88/570557788.db2.gz	XCPKJANUUVYBPW-UKTHLTGXSA-N	-1	2	367.317	1.669	50	10		FDCALM
O=C([O-])c1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000100640216	132233126	/nfs/dbraw/zinc/23/31/26/132233126.db2.gz	JEQGOBWWFNTNPB-RAXLEYEMSA-N	-1	2	351.318	1.964	50	10		FDCALM
O=C([O-])c1cccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1	ZINC000019681507	518823977	/nfs/dbraw/zinc/82/39/77/518823977.db2.gz	LFSCZVBXLWBZED-GXDHUFHOSA-N	-1	2	351.318	1.964	50	10		FDCALM