smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncc1c(N)[nH+]c(-c3cccnc3)cc12	ZINC000045316075	563129856	/nfs/dbraw/zinc/12/98/56/563129856.db2.gz	FRZGIAXJUKGPGL-UHFFFAOYSA-N	2	2	443.551	4.691	1	5		IJBFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-]	ZINC000028564762	563057773	/nfs/dbraw/zinc/05/77/73/563057773.db2.gz	VSOVSIXEVLDGFM-CLJLJLNGSA-N	2	2	447.579	4.684	1	5		IJBFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-]	ZINC000028564762	563057775	/nfs/dbraw/zinc/05/77/75/563057775.db2.gz	VSOVSIXEVLDGFM-CLJLJLNGSA-N	2	2	447.579	4.684	1	5		IJBFLP
Cc1cc(NCCCC[NH3+])c2ccc3c(ccc4c(NCCCC[NH3+])cc(C)[nH+]c43)c2[nH+]1	ZINC000071318265	563162053	/nfs/dbraw/zinc/16/20/53/563162053.db2.gz	YQVFBBFVXPSMHL-UHFFFAOYSA-N	4	2	430.600	4.855	1	5		IJBFLP
Cc1cc(NCCCC[NH3+])c2ccc3c(ccc4c(NCCCC[NH3+])cc(C)[nH+]c43)c2n1	ZINC000071318265	563162055	/nfs/dbraw/zinc/16/20/55/563162055.db2.gz	YQVFBBFVXPSMHL-UHFFFAOYSA-N	3	2	430.600	4.855	1	5		IJBFLP
O=[N+]([O-])c1ccc(OC2[C@H](Cn3cc[nH+]c3)CCC[C@H]2Cn2cc[nH+]c2)c(C(F)(F)F)c1	ZINC000040897611	563110679	/nfs/dbraw/zinc/11/06/79/563110679.db2.gz	MTJUBCJNVJWLHX-HOTGVXAUSA-N	2	2	449.433	4.571	1	5		IJBFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000028564997	563057894	/nfs/dbraw/zinc/05/78/94/563057894.db2.gz	UHPZARWNKXYBIY-CLJLJLNGSA-N	2	2	447.579	4.684	1	5		IJBFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000028564997	563057896	/nfs/dbraw/zinc/05/78/96/563057896.db2.gz	UHPZARWNKXYBIY-CLJLJLNGSA-N	2	2	447.579	4.684	1	5		IJBFLP
CC(C)=CCC[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)[NH+]1CCCCC1)C2	ZINC000073157092	563169144	/nfs/dbraw/zinc/16/91/44/563169144.db2.gz	UZEVBPRKTBGQEP-RJYCBYKVSA-N	2	2	425.637	4.896	1	5		IJBFLP
O=[N+]([O-])c1ccc(OC2[C@@H](Cn3cc[nH+]c3)CCC[C@@H]2Cn2cc[nH+]c2)c(C(F)(F)F)c1	ZINC000040897608	563110674	/nfs/dbraw/zinc/11/06/74/563110674.db2.gz	MTJUBCJNVJWLHX-HZPDHXFCSA-N	2	2	449.433	4.571	1	5		IJBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073196671	717134167	/nfs/dbraw/zinc/13/41/67/717134167.db2.gz	DVEKJMIGSBNUCB-YXWZOGTMSA-N	2	2	447.643	4.783	1	5		IJBFLP
C[N+](C)(C)CCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1	ZINC000029038890	563071735	/nfs/dbraw/zinc/07/17/35/563071735.db2.gz	MMBYTEVGTNUZJL-UHFFFAOYSA-N	2	2	442.676	4.505	1	5		IJBFLP
C[N+](C)(C)CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1	ZINC000029038890	563071738	/nfs/dbraw/zinc/07/17/38/563071738.db2.gz	MMBYTEVGTNUZJL-UHFFFAOYSA-N	2	2	442.676	4.505	1	5		IJBFLP
C[N+](C)(C)CCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1	ZINC000029038890	563071740	/nfs/dbraw/zinc/07/17/40/563071740.db2.gz	MMBYTEVGTNUZJL-UHFFFAOYSA-N	2	2	442.676	4.505	1	5		IJBFLP
Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c1	ZINC000064560378	563156293	/nfs/dbraw/zinc/15/62/93/563156293.db2.gz	XLZYUHMZKUIYSO-UHFFFAOYSA-N	2	2	439.947	4.729	1	5		IJBFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1	ZINC000028564818	563057967	/nfs/dbraw/zinc/05/79/67/563057967.db2.gz	BUYMPOCSZLJXOY-CLJLJLNGSA-N	2	2	447.579	4.684	1	5		IJBFLP
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1	ZINC000028564818	563057968	/nfs/dbraw/zinc/05/79/68/563057968.db2.gz	BUYMPOCSZLJXOY-CLJLJLNGSA-N	2	2	447.579	4.684	1	5		IJBFLP