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(Nc1ccc(Br)cc1)C([O-])=C1C(=O)[N-]C(=O)NC1=O	ZINC000001627926	483396917	/nfs/dbraw/zinc/39/69/17/483396917.db2.gz	LDGJXINPDDYTPM-UHFFFAOYSA-N	-2	0	354.116	-0.061	40	0		FBABRL
COC(=O)[C@H]1C[C@@]2(C(=O)[O-])C[C@](C(=O)[O-])(C[C@H](C(=O)OC)C2=O)C1=O	ZINC000002097702	485140579	/nfs/dbraw/zinc/14/05/79/485140579.db2.gz	DKSRMIFOBMGLIQ-VBQXHRINSA-N	-2	0	356.283	-0.958	40	0		FBABRL
COC(=O)[C@@H]1C[C@@]2(C(=O)[O-])C[C@](C(=O)[O-])(C[C@H](C(=O)OC)C2=O)C1=O	ZINC000004025089	484147504	/nfs/dbraw/zinc/14/75/04/484147504.db2.gz	DKSRMIFOBMGLIQ-RDWWTFMKSA-N	-2	0	356.283	-0.958	40	0		FBABRL
COC(=O)[C@@H]1C[C@]2(C(=O)[O-])C[C@@](C(=O)[O-])(C[C@@H](C(=O)OC)C2=O)C1=O	ZINC000004368431	204135225	/nfs/dbraw/zinc/13/52/25/204135225.db2.gz	DKSRMIFOBMGLIQ-XLFRYONASA-N	-2	0	356.283	-0.958	40	0		FBABRL
O=P([O-])([O-])OC[C@@H]1O[C@H](n2cnc3c2nc[nH]c3=S)[C@H](O)[C@@H]1O	ZINC000004806236	204164807	/nfs/dbraw/zinc/16/48/07/204164807.db2.gz	ZKRFOXLVOKTUTA-WDHZHIADSA-N	-2	0	364.276	-0.783	40	0		FBABRL
O=P([O-])([O-])OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H](O)[C@@H]1O	ZINC000004806237	207049787	/nfs/dbraw/zinc/04/97/87/207049787.db2.gz	ZKRFOXLVOKTUTA-HGOUYRHRSA-N	-2	0	364.276	-0.783	40	0		FBABRL
O=P([O-])([O-])OC[C@@H]1O[C@H](n2cnc3c2nc[nH]c3=S)[C@@H](O)[C@@H]1O	ZINC000004806238	204164926	/nfs/dbraw/zinc/16/49/26/204164926.db2.gz	ZKRFOXLVOKTUTA-HUEBKHCJSA-N	-2	0	364.276	-0.783	40	0		FBABRL
O=P([O-])([O-])OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@@H](O)[C@@H]1O	ZINC000004806239	207049022	/nfs/dbraw/zinc/04/90/22/207049022.db2.gz	ZKRFOXLVOKTUTA-PERBPWGJSA-N	-2	0	364.276	-0.783	40	0		FBABRL
CCCCCCC(c1c([O-])[nH]c(=O)[nH]c1=O)c1c([O-])[nH]c(=O)[nH]c1=O	ZINC000005417945	207099761	/nfs/dbraw/zinc/09/97/61/207099761.db2.gz	RDVPSHRDUQLNGA-UHFFFAOYSA-N	-2	0	352.347	-0.463	40	0		FBABRL
CO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C[N-]C(=O)C(F)(F)F)O1	ZINC000005493133	263341611	/nfs/dbraw/zinc/34/16/11/263341611.db2.gz	VPTWVVAMILJEOL-AXMZGBSTSA-N	-2	0	368.230	-0.166	40	0		FBABRL
CO[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C[N-]C(=O)C(F)(F)F)O1	ZINC000005493134	263341619	/nfs/dbraw/zinc/34/16/19/263341619.db2.gz	VPTWVVAMILJEOL-YTLHQDLWSA-N	-2	0	368.230	-0.166	40	0		FBABRL
CO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C[N-]C(=O)C(F)(F)F)O1	ZINC000005493135	263341525	/nfs/dbraw/zinc/34/15/25/263341525.db2.gz	VPTWVVAMILJEOL-BWBBJGPYSA-N	-2	0	368.230	-0.166	40	0		FBABRL
CO[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C[N-]C(=O)C(F)(F)F)O1	ZINC000005493136	204212097	/nfs/dbraw/zinc/21/20/97/204212097.db2.gz	VPTWVVAMILJEOL-UCROKIRRSA-N	-2	0	368.230	-0.166	40	0		FBABRL
COC(=O)[C@@H]1C[C@]2(C(=O)[O-])C[C@@](C(=O)[O-])(C[C@H](C(=O)OC)C2=O)C1=O	ZINC000011582516	483449558	/nfs/dbraw/zinc/44/95/58/483449558.db2.gz	DKSRMIFOBMGLIQ-NKECNBRYSA-N	-2	0	356.283	-0.958	40	0		FBABRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3Cl)[C@H](O)[C@@H]1O	ZINC000013526959	220072551	/nfs/dbraw/zinc/07/25/51/220072551.db2.gz	ALOBOMYIOYNCBS-KQYNXXCUSA-N	-2	0	366.654	-0.792	40	0	in-vivo	FBABRL
Nc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC000022009652	483494425	/nfs/dbraw/zinc/49/44/25/483494425.db2.gz	UQEAQYXIDTYYNI-UHFFFAOYSA-N	-2	0	361.375	-0.891	40	0		FBABRL
Nc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC000022009656	220374543	/nfs/dbraw/zinc/37/45/43/220374543.db2.gz	DBBOIFXMBBZYJA-UHFFFAOYSA-N	-2	0	361.375	-0.891	40	0		FBABRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@@H]1O	ZINC000025762090	210162403	/nfs/dbraw/zinc/16/24/03/210162403.db2.gz	CACCSKNYAUKFAV-DJLDLDEBSA-N	-2	0	355.247	-0.163	40	0	in-vitro	FBABRL
COC(=O)[C@@](O)(CC(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000031166571	220635507	/nfs/dbraw/zinc/63/55/07/220635507.db2.gz	WOCSYFBKPNKGJB-POBIDRTASA-N	-2	0	368.294	-0.219	40	0	biogenic,in-vitro	FBABRL
COC(=O)[C@](O)(CC(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000031166575	220634739	/nfs/dbraw/zinc/63/47/39/220634739.db2.gz	WOCSYFBKPNKGJB-BVUAFDDQSA-N	-2	0	368.294	-0.219	40	0	biogenic,in-vitro	FBABRL
COC(=O)[C@@](O)(CC(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000031166579	484989002	/nfs/dbraw/zinc/98/90/02/484989002.db2.gz	WOCSYFBKPNKGJB-MPHRNGTFSA-N	-2	0	368.294	-0.219	40	0	biogenic,in-vitro	FBABRL
COC(=O)[C@](O)(CC(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000031166582	484988394	/nfs/dbraw/zinc/98/83/94/484988394.db2.gz	WOCSYFBKPNKGJB-UCCUKHFHSA-N	-2	0	368.294	-0.219	40	0	biogenic,in-vitro	FBABRL
O=C([O-])CC[NH+](CCC[NH+](CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-]	ZINC000031840934	208020795	/nfs/dbraw/zinc/02/07/95/208020795.db2.gz	FEJGJZLHNHPXEN-UHFFFAOYSA-N	-2	0	362.379	-0.121	40	0		FBABRL
O=P([O-])([O-])OC1C[C@@H](OP(=O)([O-])[O-])C[C@H](OP(=O)([O-])[O-])C1	ZINC000043758988	205105889	/nfs/dbraw/zinc/10/58/89/205105889.db2.gz	JROQGJVTDFWLER-UHFFFAOYSA-N	-6	0	372.096	-0.396	40	0		FBABRL
Nc1nc([O-])c(C(c2ccc(O)cc2)C2C(=O)N=C(N)N=C2[O-])c(=O)[nH]1	ZINC000408919963	484198682	/nfs/dbraw/zinc/19/86/82/484198682.db2.gz	FUHAGVBDJIKIEX-UHFFFAOYSA-N	-2	0	358.314	-0.200	40	0		FBABRL