smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC[C@H](C(=O)[O-])[P@@](=O)([O-])O	ZINC000002573721	361241493	/nfs/dbraw/zinc/24/14/93/361241493.db2.gz	QCAOXEJHHFDENQ-SECBINFHSA-N	-2	0	252.247	2.368	50	30		CEEARL
CCCCCCCC[C@@H](C(=O)[O-])[P@@](=O)([O-])O	ZINC000100071587	364539070	/nfs/dbraw/zinc/53/90/70/364539070.db2.gz	QCAOXEJHHFDENQ-VIFPVBQESA-N	-2	0	252.247	2.368	50	30		CEEARL
O=C([O-])c1ccc(C#Cc2ccccc2)cc1C(=O)[O-]	ZINC000035924231	304232831	/nfs/dbraw/zinc/23/28/31/304232831.db2.gz	JPVBXQAUQXVQGJ-UHFFFAOYSA-N	-2	0	266.252	2.483	50	30		CEEARL
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2C=C(CC(=O)[O-])C(=O)[O-]	ZINC000033939015	394492188	/nfs/dbraw/zinc/49/21/88/394492188.db2.gz	FAIFKXVFDPTYBI-OWHZKWPRSA-N	-2	0	280.320	2.114	50	30		CEEARL
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2C=C(CC(=O)[O-])C(=O)[O-]	ZINC000039738112	281540324	/nfs/dbraw/zinc/54/03/24/281540324.db2.gz	FAIFKXVFDPTYBI-YPSCGRKGSA-N	-2	0	280.320	2.114	50	30		CEEARL
CC1=C(C#N)C(=O)[N-]C(=O)C1=NNc1ccc(C(=O)[O-])cc1	ZINC000100719494	300910482	/nfs/dbraw/zinc/91/04/82/300910482.db2.gz	HXYUMMNZGRPUMO-ISLYRVAYSA-N	-2	0	298.258	2.374	50	30		CEEARL
O=C([O-])c1cc(-c2ccccc2)nc2c1C(=O)C([O-])=CC2=O	ZINC000019312421	304219574	/nfs/dbraw/zinc/21/95/74/304219574.db2.gz	TYGAOWUHMHGMMA-UHFFFAOYSA-N	-2	0	295.250	2.268	50	30		CEEARL
[O-]/N=C1\CC/C(=N\[O-])c2nn(-c3ccccc3Cl)nc21	ZINC000100639713	364549088	/nfs/dbraw/zinc/54/90/88/364549088.db2.gz	KRDVRYMOSKBVHE-GONBZBRSSA-N	-2	0	291.698	2.071	50	30		CEEARL
N#Cc1ccc([O-])c(NC(=O)c2s[n-]c(=O)c2Cl)c1	ZINC000241684923	370785224	/nfs/dbraw/zinc/78/52/24/370785224.db2.gz	QGLMFFVPVWEXDY-UHFFFAOYSA-N	-2	0	295.707	2.332	50	30		CEEARL
N#Cc1cc(C(=O)[O-])c(=O)[n-]c1SCc1ccccc1	ZINC000004813175	170022070	/nfs/dbraw/zinc/02/20/70/170022070.db2.gz	FXURAPGIOUBECW-UHFFFAOYSA-N	-2	0	286.312	2.237	50	30		CEEARL
CC1=C(C#N)C(=O)[N-]C(=O)C1=NNc1ccccc1C(=O)[O-]	ZINC000009359730	170374028	/nfs/dbraw/zinc/37/40/28/170374028.db2.gz	JXPXCDIEZWKTBO-ISLYRVAYSA-N	-2	0	298.258	2.374	50	30		CEEARL
C=CCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2ccncc2)C1=O	ZINC000101234301	364555568	/nfs/dbraw/zinc/55/55/68/364555568.db2.gz	CUWVFZNNLWCRAI-PKLSXISYSA-N	-2	0	299.286	2.012	50	30		CEEARL
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2C=C(CC(=O)[O-])C(=O)[O-]	ZINC000245239061	394497703	/nfs/dbraw/zinc/49/77/03/394497703.db2.gz	FAIFKXVFDPTYBI-MXSDIXFVSA-N	-2	0	280.320	2.114	50	30		CEEARL
O=C([O-])c1ccc(C#Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000032299177	304232877	/nfs/dbraw/zinc/23/28/77/304232877.db2.gz	ARBAMECCCQZCSR-UHFFFAOYSA-N	-2	0	266.252	2.483	50	30		CEEARL
CC1=C(C#N)C(=O)[N-]C(=O)C1=NNc1cccc(C(=O)[O-])c1	ZINC000098086038	300910491	/nfs/dbraw/zinc/91/04/91/300910491.db2.gz	HOSXVZRIEDXKBM-ISLYRVAYSA-N	-2	0	298.258	2.374	50	30		CEEARL
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2C=C(CC(=O)[O-])C(=O)[O-]	ZINC000245239060	262663980	/nfs/dbraw/zinc/66/39/80/262663980.db2.gz	FAIFKXVFDPTYBI-DQABBEEXSA-N	-2	0	280.320	2.114	50	30		CEEARL
O=S(=O)([O-])CC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000002350713	361233470	/nfs/dbraw/zinc/23/34/70/361233470.db2.gz	JFOHITLPTXLFKK-LFYBBSHMSA-N	-2	0	298.147	2.006	50	30		CEEARL