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-])C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	ZINC000002580721	471411384	/nfs/dbraw/zinc/41/13/84/471411384.db2.gz	XEBOCMNQLRLDOT-BYPYZUCNSA-N	-1	2	346.124	2.705	50	0		EFAALM
CCCC[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl)C(=O)[O-]	ZINC000003154979	471435305	/nfs/dbraw/zinc/43/53/05/471435305.db2.gz	HHXODEOITZHNPD-RXMQYKEDSA-N	-1	2	343.651	2.848	50	0		EFAALM
Cc1c(C(=O)[O-])sc2[nH]c(=S)n(Cc3ccncc3)c(=O)c12	ZINC000017068571	211950051	/nfs/dbraw/zinc/95/00/51/211950051.db2.gz	NZUBHIXGMGMMPZ-UHFFFAOYSA-N	-1	2	333.394	2.571	50	0		EFAALM
COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(Cl)c1O	ZINC000005955326	471527355	/nfs/dbraw/zinc/52/73/55/471527355.db2.gz	FTYISDPMMHJDQF-BJMVGYQFSA-N	-1	2	341.776	2.699	50	0		EFAALM
O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1ccccc1Br	ZINC000006927012	471578631	/nfs/dbraw/zinc/57/86/31/471578631.db2.gz	GUYNVUOQFJZCAW-QMMMGPOBSA-N	-1	2	340.095	2.643	50	0		EFAALM
O=[P@@]([O-])(O)Oc1c[nH]c2ccc(Br)c(Cl)c12	ZINC000409420681	476983725	/nfs/dbraw/zinc/98/37/25/476983725.db2.gz	UBURCTDECCGOTF-LURJTMIESA-N	-1	2	326.470	2.969	50	0		EFAALM
O=[P@]([O-])(O)Oc1c[nH]c2ccc(Br)c(Cl)c12	ZINC000409420681	476983729	/nfs/dbraw/zinc/98/37/29/476983729.db2.gz	UBURCTDECCGOTF-LURJTMIESA-N	-1	2	326.470	2.969	50	0		EFAALM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000020014971	212093952	/nfs/dbraw/zinc/09/39/52/212093952.db2.gz	KRANMRDYJRYQEW-UHFFFAOYSA-N	-1	2	329.736	2.978	50	0		EFAALM
COc1ccc(-c2c(C(=O)[O-])c(C)[nH+]c(C)c2C(=O)[O-])cc1OC	ZINC000020101768	202031703	/nfs/dbraw/zinc/03/17/03/202031703.db2.gz	ZTDALACZAOUAOM-UHFFFAOYSA-N	-1	2	331.324	2.779	50	0		EFAALM
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)cc1	ZINC000004014674	471456405	/nfs/dbraw/zinc/45/64/05/471456405.db2.gz	PIQSBWMNNDGWPH-MRVPVSSYSA-N	-1	2	340.095	2.643	50	0		EFAALM
O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1cccc(Br)c1	ZINC000002505804	471409814	/nfs/dbraw/zinc/40/98/14/471409814.db2.gz	SYAKLHHMWLLBQU-QMMMGPOBSA-N	-1	2	340.095	2.643	50	0		EFAALM
O=C([O-])c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1	ZINC000009421829	471716567	/nfs/dbraw/zinc/71/65/67/471716567.db2.gz	GPGGYNNSOQAQIX-UHFFFAOYSA-N	-1	2	334.378	2.795	50	0		EFAALM
O=C([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1	ZINC000000238527	471339142	/nfs/dbraw/zinc/33/91/42/471339142.db2.gz	VUNMBQFBBVQTGM-UHFFFAOYSA-N	-1	2	334.378	2.795	50	0		EFAALM
COC(=O)[C@@]([N-]c1ccccc1F)(Nc1ncccn1)C(F)(F)F	ZINC000044920241	291968124	/nfs/dbraw/zinc/96/81/24/291968124.db2.gz	DINMTADRDPFOAJ-CYBMUJFWSA-N	-1	2	344.268	2.571	50	0		EFAALM
CCCC[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl)C(=O)[O-]	ZINC000003154978	471434955	/nfs/dbraw/zinc/43/49/55/471434955.db2.gz	HHXODEOITZHNPD-YFKPBYRVSA-N	-1	2	343.651	2.848	50	0		EFAALM
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1ccccc1Br	ZINC000006926995	471578604	/nfs/dbraw/zinc/57/86/04/471578604.db2.gz	GUYNVUOQFJZCAW-MRVPVSSYSA-N	-1	2	340.095	2.643	50	0		EFAALM
O=C1[C@@H]2ON=C(c3ccc(Cl)cc3)C2=C(O)N1c1ccc(F)cc1	ZINC000101500114	204008809	/nfs/dbraw/zinc/00/88/09/204008809.db2.gz	BKPXFHDRFFXARJ-DZGCQCFKSA-N	-1	2	344.729	2.772	50	0		EFAALM
COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000003171616	471435250	/nfs/dbraw/zinc/43/52/50/471435250.db2.gz	JCOHBJPHMWCXHF-UHFFFAOYSA-N	-1	2	341.772	2.848	50	0		EFAALM
O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)cc1	ZINC000002597336	471413028	/nfs/dbraw/zinc/41/30/28/471413028.db2.gz	PIQSBWMNNDGWPH-QMMMGPOBSA-N	-1	2	340.095	2.643	50	0		EFAALM
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1ccc(Br)s1	ZINC000003884487	471456443	/nfs/dbraw/zinc/45/64/43/471456443.db2.gz	XEBOCMNQLRLDOT-SCSAIBSYSA-N	-1	2	346.124	2.705	50	0		EFAALM
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1cccc(Br)c1	ZINC000004050722	471458522	/nfs/dbraw/zinc/45/85/22/471458522.db2.gz	SYAKLHHMWLLBQU-MRVPVSSYSA-N	-1	2	340.095	2.643	50	0		EFAALM
O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1	ZINC000003327973	210008379	/nfs/dbraw/zinc/00/83/79/210008379.db2.gz	WLLRDNBAUBULJK-UHFFFAOYSA-N	-1	2	343.763	2.907	50	0		EFAALM
COC(=O)[C@]([N-]c1ccccc1F)(Nc1ncccn1)C(F)(F)F	ZINC000044920244	291662428	/nfs/dbraw/zinc/66/24/28/291662428.db2.gz	DINMTADRDPFOAJ-ZDUSSCGKSA-N	-1	2	344.268	2.571	50	0		EFAALM
O=C(Cc1cccc2ccccc21)Oc1ccccc1[P@](=O)([O-])O	ZINC000009135043	211044654	/nfs/dbraw/zinc/04/46/54/211044654.db2.gz	SMGWMRBJWZPDGH-UHFFFAOYSA-N	-1	2	342.287	2.791	50	0		EFAALM
O=C(Cc1cccc2ccccc21)Oc1ccccc1[P@@](=O)([O-])O	ZINC000009135043	211044656	/nfs/dbraw/zinc/04/46/56/211044656.db2.gz	SMGWMRBJWZPDGH-UHFFFAOYSA-N	-1	2	342.287	2.791	50	0		EFAALM
O=[P@@]([O-])(O)Oc1c[nH]c2ccc(Br)c(Cl)c12	ZINC000409420682	476983800	/nfs/dbraw/zinc/98/38/00/476983800.db2.gz	UBURCTDECCGOTF-ZCFIWIBFSA-N	-1	2	326.470	2.969	50	0		EFAALM
O=[P@]([O-])(O)Oc1c[nH]c2ccc(Br)c(Cl)c12	ZINC000409420682	476983803	/nfs/dbraw/zinc/98/38/03/476983803.db2.gz	UBURCTDECCGOTF-ZCFIWIBFSA-N	-1	2	326.470	2.969	50	0		EFAALM