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@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000256299763	557032710	/nfs/dbraw/zinc/03/27/10/557032710.db2.gz	JDOZJEUDSLGTLU-LHXCVJCSSA-N	-2	0	440.429	1.675	40	30	in-vitro	IDEBRL
O=S(=O)([O-])c1ccccc1/C=N/NC(=S)N/N=C\c1ccccc1S(=O)(=O)[O-]	ZINC000008615645	556192202	/nfs/dbraw/zinc/19/22/02/556192202.db2.gz	KGNBDTLSLHOMEO-ZAGBYUSBSA-N	-2	0	442.500	1.012	40	30		IDEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N/c2nnc3n(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cnn23)c1	ZINC000008781384	569290630	/nfs/dbraw/zinc/29/06/30/569290630.db2.gz	CKXFMMACRDNSEU-NDILIQOGSA-N	-2	0	437.332	1.786	40	30		IDEBRL
N=c1nn[n-]n1/N=C/c1c(Br)cc(Br)c([O-])c1Br	ZINC000408735964	556202713	/nfs/dbraw/zinc/20/27/13/556202713.db2.gz	YVOWQCXHGUTBGV-XNJYKOPJSA-N	-2	0	440.881	1.961	40	30		IDEBRL
O=c1[n-][nH]c(=O)c2cccc(N=C3C(=O)[N-]C(=O)C(=O)[C@H]3c3nc4ccccc4s3)c12	ZINC000017189274	556672295	/nfs/dbraw/zinc/67/22/95/556672295.db2.gz	WIDJFCRTFAJYBM-UEMQISARSA-N	-2	0	433.405	1.733	40	30		IDEBRL
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000245204915	556683965	/nfs/dbraw/zinc/68/39/65/556683965.db2.gz	JDOZJEUDSLGTLU-UHGZNKHPSA-N	-2	0	440.429	1.675	40	30	in-vitro	IDEBRL
O=c1[n-][nH]c(=O)c2cccc(N=C3C(=O)[N-]C(=O)C(=O)[C@H]3c3nc4ccccc4s3)c12	ZINC000104277578	557323948	/nfs/dbraw/zinc/32/39/48/557323948.db2.gz	WIDJFCRTFAJYBM-NONDHBLVSA-N	-2	0	433.405	1.733	40	30		IDEBRL
O=S(=O)([O-])c1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1S(=O)(=O)[O-]	ZINC000001685035	555709308	/nfs/dbraw/zinc/70/93/08/555709308.db2.gz	KGNBDTLSLHOMEO-CZCYGEDCSA-N	-2	0	442.500	1.012	40	30		IDEBRL
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000022116582	525353682	/nfs/dbraw/zinc/35/36/82/525353682.db2.gz	JDOZJEUDSLGTLU-MKIDGPAKSA-N	-2	0	440.429	1.675	40	30		IDEBRL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=NNc1ccccc1S(=O)(=O)[O-]	ZINC000104226541	557322755	/nfs/dbraw/zinc/32/27/55/557322755.db2.gz	KDJJLUZTXQJTOF-QJQDQWMRSA-N	-2	0	427.420	1.175	40	30		IDEBRL
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000003791295	557850964	/nfs/dbraw/zinc/85/09/64/557850964.db2.gz	MWZOULASPWUGJJ-NFBUACBFSA-N	-2	0	449.548	1.887	40	30	in-vitro	IDEBRL
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])C(=O)C=Cc1c(=O)[nH]c2ncccc2c1[O-]	ZINC000016430835	556607580	/nfs/dbraw/zinc/60/75/80/556607580.db2.gz	SDTJLCPHTHNMLD-KQQUZDAGSA-N	-2	0	430.376	1.436	40	30		IDEBRL
O=c1[n-][nH]c(=O)c2cccc(N=C3C(=O)[N-]C(=O)C(=O)[C@@H]3c3nc4ccccc4s3)c12	ZINC000017189271	556672243	/nfs/dbraw/zinc/67/22/43/556672243.db2.gz	WIDJFCRTFAJYBM-SBGWBMIRSA-N	-2	0	433.405	1.733	40	30		IDEBRL
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000118912528	557404672	/nfs/dbraw/zinc/40/46/72/557404672.db2.gz	JDOZJEUDSLGTLU-CZFMHFDVSA-N	-2	0	440.429	1.675	40	30		IDEBRL
O=[N+]([O-])c1ccc(C#Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000004265605	568803957	/nfs/dbraw/zinc/80/39/57/568803957.db2.gz	PODDFFHCMFVUHD-UHFFFAOYSA-N	-2	0	428.356	1.396	40	30		IDEBRL
O=C([O-])C[N-]C(=O)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F	ZINC000013099133	556459755	/nfs/dbraw/zinc/45/97/55/556459755.db2.gz	SMOIGBFAZZYOSZ-VKHMYHEASA-N	-2	0	446.144	1.860	40	30	in-vitro	IDEBRL
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000256299756	557032676	/nfs/dbraw/zinc/03/26/76/557032676.db2.gz	JDOZJEUDSLGTLU-KSKPGIFSSA-N	-2	0	440.429	1.675	40	30	in-vitro	IDEBRL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=NNc1ccccc1S(=O)(=O)[O-]	ZINC000104226532	557322410	/nfs/dbraw/zinc/32/24/10/557322410.db2.gz	KDJJLUZTXQJTOF-YNYPCVJTSA-N	-2	0	427.420	1.175	40	30		IDEBRL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=NNc1ccccc1S(=O)(=O)[O-]	ZINC000104226538	557322739	/nfs/dbraw/zinc/32/27/39/557322739.db2.gz	KDJJLUZTXQJTOF-XVAPFDQUSA-N	-2	0	427.420	1.175	40	30		IDEBRL
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000118912529	557404550	/nfs/dbraw/zinc/40/45/50/557404550.db2.gz	JDOZJEUDSLGTLU-IJKQGUKSSA-N	-2	0	440.429	1.675	40	30		IDEBRL
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000584577471	568897430	/nfs/dbraw/zinc/89/74/30/568897430.db2.gz	BGSOJVFOEQLVMH-UGLQFRMDSA-N	-2	0	442.445	1.899	40	30		IDEBRL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=NNc1ccccc1S(=O)(=O)[O-]	ZINC000104226525	557322486	/nfs/dbraw/zinc/32/24/86/557322486.db2.gz	KDJJLUZTXQJTOF-UJYJBITFSA-N	-2	0	427.420	1.175	40	30		IDEBRL
O=[N+]([O-])c1ccc([O-])cc1/C=N/c1nnc2n(/N=C/c3cc([O-])ccc3[N+](=O)[O-])cnn12	ZINC000104622331	557327458	/nfs/dbraw/zinc/32/74/58/557327458.db2.gz	MJLQYGQDBOOGTG-NDILIQOGSA-N	-2	0	437.332	1.786	40	30		IDEBRL
O=S(=O)([O-])c1ccccc1/C=N\NC(=S)N/N=C\c1ccccc1S(=O)(=O)[O-]	ZINC000033765340	556567811	/nfs/dbraw/zinc/56/78/11/556567811.db2.gz	KGNBDTLSLHOMEO-CQRYCMKKSA-N	-2	0	442.500	1.012	40	30		IDEBRL
O=C1c2ccccc2C(=O)C1=C1C=C(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])ccc2N1	ZINC000256027841	556700664	/nfs/dbraw/zinc/70/06/64/556700664.db2.gz	FTPDKRKOZJLHBH-UHFFFAOYSA-N	-2	0	433.419	1.921	40	30		IDEBRL
O=C([O-])C[N-]C(=O)[C@H]1NC(C(F)(F)F)(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F	ZINC000008034765	556149376	/nfs/dbraw/zinc/14/93/76/556149376.db2.gz	SMOIGBFAZZYOSZ-GSVOUGTGSA-N	-2	0	446.144	1.860	40	30	in-vitro	IDEBRL
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000245204916	569499004	/nfs/dbraw/zinc/49/90/04/569499004.db2.gz	JDOZJEUDSLGTLU-UZSPEORTSA-N	-2	0	440.429	1.675	40	30	in-vitro	IDEBRL