smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCC[N@H+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000066080548	205362405	/nfs/dbraw/zinc/36/24/05/205362405.db2.gz	YMZRSVUCWPEJQI-UHFFFAOYSA-N	-3	3	359.340	2.740	1	30		FFEFHL
CCCCCCCCCC[N@@H+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000066080548	205362408	/nfs/dbraw/zinc/36/24/08/205362408.db2.gz	YMZRSVUCWPEJQI-UHFFFAOYSA-N	-3	3	359.340	2.740	1	30		FFEFHL
CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)([O-])[O-])cc1	ZINC000036178543	205007937	/nfs/dbraw/zinc/00/79/37/205007937.db2.gz	MYSPJHRAIVKWQS-MRXNPFEDSA-N	-2	3	372.402	2.965	1	30		FFEFHL
Cc1cc2c(o1)c([O-])c1c(c2[O-])C(=O)C=C2C(CO)=C(C)C(=O)C[C@]12C	ZINC000040952988	208276651	/nfs/dbraw/zinc/27/66/51/208276651.db2.gz	SEIQQHZEVVWEAF-FQEVSTJZSA-N	-2	3	354.358	2.814	1	30		FFEFHL
CC(C)(O)[C@@H]1Cc2c(cc([O-])c(C(=O)/C=C/c3ccc(O)cc3)c2[O-])O1	ZINC000013375438	291057203	/nfs/dbraw/zinc/05/72/03/291057203.db2.gz	CVUMBCAEYKOWBS-JZLODUJNSA-N	-2	3	356.374	2.774	1	30	biogenic,in-vitro	FFEFHL
O=C(c1c(=O)[nH]c2cc(Cl)ccc2c1[O-])N([O-])CCc1ccccc1	ZINC000013833641	211061457	/nfs/dbraw/zinc/06/14/57/211061457.db2.gz	CBJFQHDXLRRHPZ-UHFFFAOYSA-N	-2	3	358.781	2.961	1	30		FFEFHL
C[C@@]12C3=C(C[C@@H]1C(=O)c1c([O-])cccc1C2=O)C(=O)c1cccc([O-])c1C3=O	ZINC000014887565	220134931	/nfs/dbraw/zinc/13/49/31/220134931.db2.gz	XVMQJJJRMHQCGD-IPQOISQHSA-N	-2	3	374.348	2.879	1	30		FFEFHL
CN(O)C(=O)CS[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)([O-])[O-]	ZINC000096284904	222110830	/nfs/dbraw/zinc/11/08/30/222110830.db2.gz	FCHGYCPRLYDAIK-JTQLQIEISA-N	-2	3	360.155	2.751	1	30		FFEFHL
CN([O-])C(=O)CS[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)([O-])[O-]	ZINC000096284904	222110833	/nfs/dbraw/zinc/11/08/33/222110833.db2.gz	FCHGYCPRLYDAIK-JTQLQIEISA-N	-3	3	360.155	2.751	1	30		FFEFHL
COc1cc(/C=N/[O-])c(-c2cc3c(cc2/C=N/[O-])OCO3)c(OC)c1OC	ZINC000040918528	220925433	/nfs/dbraw/zinc/92/54/33/220925433.db2.gz	UIVKULMGPYCREL-OKXCLTPOSA-N	-2	3	374.349	2.724	1	30		FFEFHL
CCCCCCCCCCC[NH2+]CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000071316268	221341467	/nfs/dbraw/zinc/34/14/67/221341467.db2.gz	KVSGRVWBMQEWPD-UHFFFAOYSA-N	-3	3	359.340	2.788	1	30		FFEFHL
O=C(NO)[C@@H](CCCc1cccc(Oc2ccccc2)c1)P(=O)([O-])[O-]	ZINC000040974309	208279284	/nfs/dbraw/zinc/27/92/84/208279284.db2.gz	HGDWHTASNMRJMP-MRXNPFEDSA-N	-2	3	365.322	2.853	1	30	in-vitro	FFEFHL
O=C1C=C(NCCc2cc(Cl)c([O-])c(Cl)c2)C(=O)c2[n-]cnc21	ZINC000001856835	210373050	/nfs/dbraw/zinc/37/30/50/210373050.db2.gz	UQTPOMIIMHFKQA-UHFFFAOYSA-N	-2	3	352.177	2.517	1	30		FFEFHL
O=C1C=C(NCCc2cc(Cl)c([O-])c(Cl)c2)C(=O)c2nc[n-]c21	ZINC000001856835	210373055	/nfs/dbraw/zinc/37/30/55/210373055.db2.gz	UQTPOMIIMHFKQA-UHFFFAOYSA-N	-2	3	352.177	2.517	1	30		FFEFHL
CC1(C)Oc2cc([O-])c(C(=O)/C=C/c3ccc(O)cc3)c([O-])c2C[C@H]1O	ZINC000014557870	291057836	/nfs/dbraw/zinc/05/78/36/291057836.db2.gz	SVMUHLDNXDJLEN-ZGRWHYIRSA-N	-2	3	356.374	2.774	1	30	biogenic,in-vitro	FFEFHL
C[C@]12C3=C(C[C@@H]1C(=O)c1c([O-])cccc1C2=O)C(=O)c1cccc([O-])c1C3=O	ZINC000014887561	220135298	/nfs/dbraw/zinc/13/52/98/220135298.db2.gz	XVMQJJJRMHQCGD-VERVWZFWSA-N	-2	3	374.348	2.879	1	30		FFEFHL