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([C@H]1C[C@@H](Oc2ccc(Cl)cc2)C[NH2+]1)N1CCC[N@H+](C2CCC2)CC1	ZINC000072181491	205316817	/nfs/dbraw/zinc/31/68/17/205316817.db2.gz	OQKSKCQEXCCVNW-RTBURBONSA-N	2	1	377.916	2.536	1	0		GFAFMP
NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4nc5ccc(C(N)=[NH2+])cc5[nH]4)o3)nc2c1	ZINC000005974298	204159736	/nfs/dbraw/zinc/15/97/36/204159736.db2.gz	FZFQYUOWNRDPNY-UHFFFAOYSA-N	2	1	384.403	2.934	1	0		GFAFMP
C[C@@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(Cl)cc1	ZINC000095580716	136182361	/nfs/dbraw/zinc/18/23/61/136182361.db2.gz	RCUDMUZVZCVJCO-CYBMUJFWSA-N	2	1	398.898	2.786	1	0		GFAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(COc2cccc(NC(N)=S)c2)c1	ZINC000029218454	207357960	/nfs/dbraw/zinc/35/79/60/207357960.db2.gz	SJLUGNSWLCFURF-UHFFFAOYSA-N	2	1	397.508	2.728	1	0		GFAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CNC(=O)Nc2cccc(Cl)c2)c1	ZINC000016955943	221373245	/nfs/dbraw/zinc/37/32/45/221373245.db2.gz	RYHVUGVIPRGKFJ-UHFFFAOYSA-N	2	1	399.886	2.847	1	0		GFAFMP
c1cc(N2CCC([NH+]3CCCC3)CC2)ccc1CC[N@H+]1CCC2(C1)OCCO2	ZINC000103298408	136191208	/nfs/dbraw/zinc/19/12/08/136191208.db2.gz	JCEJVDIGZOTIPS-UHFFFAOYSA-N	2	1	385.552	2.743	1	0		GFAFMP
NC(=[NH2+])c1cc2nc(-c3cccc(OC[C@@H]4CCC[NH2+]C4)c3O)[nH]c2cc1F	ZINC000012354935	581096717	/nfs/dbraw/zinc/09/67/17/581096717.db2.gz	TYKNBRGVFCIVAT-LLVKDONJSA-N	2	1	383.427	2.737	1	0		GFAFMP
C[C@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(Cl)cc1	ZINC000095581144	136182315	/nfs/dbraw/zinc/18/23/15/136182315.db2.gz	RCUDMUZVZCVJCO-ZDUSSCGKSA-N	2	1	398.898	2.786	1	0		GFAFMP
[NH3+]C1(C(=O)NCc2ccc(Cl)cc2)CCN(c2cc[nH+]c3[nH]ccc32)CC1	ZINC000084405605	136174885	/nfs/dbraw/zinc/17/48/85/136174885.db2.gz	WPDHASUWSYKMLT-UHFFFAOYSA-N	2	1	383.883	2.830	1	0		GFAFMP
O=C1Nc2ccccc2C2=N[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CN21	ZINC000022940656	207267096	/nfs/dbraw/zinc/26/70/96/207267096.db2.gz	LXMVTGMMESIRBY-IBGZPJMESA-N	2	1	389.503	2.917	1	0		GFAFMP
NC(=[NH2+])c1cc2nc(-c3cccc(OC[C@H]4CCC[NH2+]C4)c3O)[nH]c2cc1F	ZINC000012354938	581096694	/nfs/dbraw/zinc/09/66/94/581096694.db2.gz	TYKNBRGVFCIVAT-NSHDSACASA-N	2	1	383.427	2.737	1	0		GFAFMP
c1ccc2c(c1)CC[C@@H]2Nc1nc(Nc2cc[nH+]cc2)nc(N2CC[NH2+]CC2)n1	ZINC000045245399	581092425	/nfs/dbraw/zinc/09/24/25/581092425.db2.gz	QVDAOKRYVCHBRV-SFHVURJKSA-N	2	1	388.479	2.519	1	0		GFAFMP
COc1ccc2cc(C[NH2+]CCCC[NH2+]CCCC[NH+]3CCNCC3)ccc2c1	ZINC000028823681	207349327	/nfs/dbraw/zinc/34/93/27/207349327.db2.gz	QFCVELWSUSJEOD-UHFFFAOYSA-N	3	1	398.595	2.993	1	0		GFAFMP
c1ccc2c(c1)CC[C@H]2Nc1nc(Nc2cc[nH+]cc2)nc(N2CC[NH2+]CC2)n1	ZINC000045245400	581092431	/nfs/dbraw/zinc/09/24/31/581092431.db2.gz	QVDAOKRYVCHBRV-GOSISDBHSA-N	2	1	388.479	2.519	1	0		GFAFMP
C[NH2+]CC[NH2+][C@H]1CC[C@@]23[C@@H](C[C@@]24CCC[C@@H]14)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]3O	ZINC000085547515	291120530	/nfs/dbraw/zinc/12/05/30/291120530.db2.gz	GXLSAOIQBAQVQI-PCGAYQKKSA-N	2	1	376.585	2.827	1	0	biogenic,in-vitro	GFAFMP
Cc1cc(NC(=O)N2CC[NH+](C)CC2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1	ZINC000059260770	222055512	/nfs/dbraw/zinc/05/55/12/222055512.db2.gz	XIGBTIXFXCZLOP-AZUAARDMSA-N	2	1	385.556	2.837	1	0		GFAFMP
Cc1cc(NC(=O)N2CC[NH+](C)CC2)ccc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1	ZINC000059260770	222055519	/nfs/dbraw/zinc/05/55/19/222055519.db2.gz	XIGBTIXFXCZLOP-AZUAARDMSA-N	2	1	385.556	2.837	1	0		GFAFMP
C[NH2+]CC[NH2+][C@@H]1CC[C@@]23C[C@]4(CCC[C@@H]14)[C@@H]2[C@@H](O)C[C@]1(C)CCC[C@@]3(O)C1	ZINC000085547493	291120536	/nfs/dbraw/zinc/12/05/36/291120536.db2.gz	FHKHPLRWVFJOBM-RRTRDGHFSA-N	2	1	376.585	2.827	1	0	biogenic,in-vitro	GFAFMP