smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N/c1ccc(Br)cc1)c1cc(Cl)ccc1[O-]	ZINC000100362445	257232245	/nfs/dbraw/zinc/23/22/45/257232245.db2.gz	IAWIRAZWEUUJME-MFOYZWKCSA-N	-1	3	324.605	4.949	10	30		DJEEHM
C/C(=N\c1ccc(Br)cc1)c1cc(Cl)ccc1[O-]	ZINC000016667458	182056891	/nfs/dbraw/zinc/05/68/91/182056891.db2.gz	IAWIRAZWEUUJME-RQZCQDPDSA-N	-1	3	324.605	4.949	10	30		DJEEHM
Cc1c(N)c2c(cc1/N=C/c1ccccc1[O-])C(C)(C)CC2(C)C	ZINC000000159255	180711665	/nfs/dbraw/zinc/71/16/65/180711665.db2.gz	RDULWXCBBSHYJV-FOKLQQMPSA-N	-1	3	322.452	4.992	10	30		DJEEHM
N#Cc1cc([O-])cc(-c2cccc(OCc3ccccc3)c2)c1	ZINC000065341695	184325727	/nfs/dbraw/zinc/32/57/27/184325727.db2.gz	INSDNOUOEVSVHF-UHFFFAOYSA-N	-1	3	301.345	4.510	10	30		DJEEHM
[O-]c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1	ZINC000006222535	563332047	/nfs/dbraw/zinc/33/20/47/563332047.db2.gz	NEKMUTTXRXOFAU-FACDVXMNSA-N	-1	3	316.364	4.950	10	30		DJEEHM
Cc1ccc(NN=Cc2c([O-])ccc3ccccc32)cc1Cl	ZINC000005416690	181240541	/nfs/dbraw/zinc/24/05/41/181240541.db2.gz	VDIFEMOKLMDPIL-RGVLZGJSSA-N	-1	3	310.784	4.953	10	30		DJEEHM
CCCc1ccc([O-])c(/N=C/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000005432164	181242884	/nfs/dbraw/zinc/24/28/84/181242884.db2.gz	UXTYNYGDIZJAFH-DQCBVTNPSA-N	-1	3	310.353	4.669	10	30		DJEEHM
N#Cc1cc([O-])cc(-c2ccc(OCc3ccccc3)cc2)c1	ZINC000065341698	184325582	/nfs/dbraw/zinc/32/55/82/184325582.db2.gz	LMINGMYIRMVXMV-UHFFFAOYSA-N	-1	3	301.345	4.510	10	30		DJEEHM
C=CCOc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1	ZINC000004123987	181076695	/nfs/dbraw/zinc/07/66/95/181076695.db2.gz	XWENVBTVFBFQHF-PKNBQFBNSA-N	-1	3	303.361	4.676	10	30		DJEEHM
[O-]c1ccc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	ZINC000005908961	181295153	/nfs/dbraw/zinc/29/51/53/181295153.db2.gz	AYCPFSLMOFBLCD-FYJGNVAPSA-N	-1	3	313.360	4.686	10	30		DJEEHM
CCCCCCCCCCCCCCCC(=O)[N-]OCCO	ZINC000043511635	183369137	/nfs/dbraw/zinc/36/91/37/183369137.db2.gz	SJVQWFQIDWJNKE-UHFFFAOYSA-N	-1	3	315.498	4.508	10	30		DJEEHM
N#Cc1cc([O-])cc(-c2ccccc2OCc2ccccc2)c1	ZINC000065341692	184325192	/nfs/dbraw/zinc/32/51/92/184325192.db2.gz	BGEWFSKZWSKSSN-UHFFFAOYSA-N	-1	3	301.345	4.510	10	30		DJEEHM
N#Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1[O-]	ZINC000065341696	184325460	/nfs/dbraw/zinc/32/54/60/184325460.db2.gz	MNEUARMNPRQUTF-UHFFFAOYSA-N	-1	3	301.345	4.510	10	30		DJEEHM
CCOc1ccc(/C=N/c2cccc(C(F)(F)F)c2)c([O-])c1	ZINC000000240821	563232859	/nfs/dbraw/zinc/23/28/59/563232859.db2.gz	IKQZMYPGICDCQZ-KEBDBYFISA-N	-1	3	309.287	4.560	10	30		DJEEHM
C(=N[N-]c1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1	ZINC000004980043	563328130	/nfs/dbraw/zinc/32/81/30/563328130.db2.gz	MBAIITUQYYRRTC-KGENOOAVSA-N	-1	3	313.360	4.941	10	30		DJEEHM
CCN(c1ccc(/C=N\c2ccc([O-])cc2)o1)c1ccccc1	ZINC000039126891	183014307	/nfs/dbraw/zinc/01/43/07/183014307.db2.gz	XDNYZQQAOWTNHO-ZHZULCJRSA-N	-1	3	306.365	4.894	10	30		DJEEHM
CCn1c2ccccc2nc1/N=C(/C)c1cc(Cl)ccc1[O-]	ZINC000005072314	181201198	/nfs/dbraw/zinc/20/11/98/181201198.db2.gz	GRMRHSYCHBRRNJ-ODLFYWEKSA-N	-1	3	313.788	4.556	10	30		DJEEHM
C=CCc1cccc(C=Nc2ccc3[nH]c(C(C)C)nc3c2)c1[O-]	ZINC000005911487	181295655	/nfs/dbraw/zinc/29/56/55/181295655.db2.gz	IKTGFGAVZKFGBF-CIAFOILYSA-N	-1	3	319.408	4.871	10	30		DJEEHM
Cc1ccc([O-])c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1	ZINC000000307904	563239028	/nfs/dbraw/zinc/23/90/28/563239028.db2.gz	PTZNHGBOTKVQLF-HYARGMPZSA-N	-1	3	317.388	4.748	10	30		DJEEHM
[O-]c1ccc(Br)cc1/C=N\c1ccc(Cl)cc1	ZINC000017023254	182068241	/nfs/dbraw/zinc/06/82/41/182068241.db2.gz	VSAVFQLPHIEAFP-PXNMLYILSA-N	-1	3	310.578	4.559	10	30		DJEEHM
CC(C)c1cc2c(c(O)c1[O-])[C@@]1(C)CCCC(C)(C)C1=CC2=O	ZINC000000003046	563459608	/nfs/dbraw/zinc/45/96/08/563459608.db2.gz	NPADGWOASIJKSB-FQEVSTJZSA-N	-1	3	314.425	4.812	10	30	biogenic	DJEEHM