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(=N\OC[C@@H](O)C[NH2+]C(C)(C)C)c1cc(Cl)c(O[C@H](C)C2=[NH+]CCN2)c(Cl)c1	ZINC000013446518	562986979	/nfs/dbraw/zinc/98/69/79/562986979.db2.gz	SJVFSIQHUZNKAD-KZRSCGBOSA-N	2	0	445.391	3.252	1	30		IGEFRP
CC(C)(C)c1ccc(C[NH2+]CCCC[NH2+]CCCNC(=O)CCCCCC(=O)NO)cc1	ZINC000029052690	563073059	/nfs/dbraw/zinc/07/30/59/563073059.db2.gz	FSZHOSXMGMIRDI-UHFFFAOYSA-N	2	0	448.652	3.406	1	30		IGEFRP
C/C(=N\OC[C@H](O)C[NH2+]C(C)(C)C)c1cc(Cl)c(O[C@@H](C)C2=[NH+]CCN2)c(Cl)c1	ZINC000013446527	562987001	/nfs/dbraw/zinc/98/70/01/562987001.db2.gz	SJVFSIQHUZNKAD-UKFSLAEISA-N	2	0	445.391	3.252	1	30		IGEFRP
CC(C)(C)c1ccc(C[NH2+]CCCC[NH2+]CCCNC(=O)CCCCC(=O)NO)cc1	ZINC000013674142	563000301	/nfs/dbraw/zinc/00/03/01/563000301.db2.gz	IEQZFKOUXPBNMO-UHFFFAOYSA-N	2	0	434.625	3.016	1	30		IGEFRP
C[NH+]1CCC(c2c3c(c(O)cc2O)C(=O)/C(=C/c2ccc(N4CC[NH+](C)CC4)cc2)O3)CC1	ZINC000013473133	536346004	/nfs/dbraw/zinc/34/60/04/536346004.db2.gz	GDKFMMHDPYDGQS-JCMHNJIXSA-N	2	0	449.551	3.275	1	30		IGEFRP
C[NH2+]CCOc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)cc(C[NH2+]C)c1O	ZINC000085597119	291356328	/nfs/dbraw/zinc/35/63/28/291356328.db2.gz	MGDJICIXSXWYBZ-FNORWQNLSA-N	2	0	442.556	3.115	1	30	biogenic,in-vitro	IGEFRP
Cn1c(COc2ccc(C=NNC(=[NH2+])N3CCCC3)cc2)c[n+]2cc(C(F)(F)F)ccc12	ZINC000026821375	563036900	/nfs/dbraw/zinc/03/69/00/563036900.db2.gz	XVENMPJJGQWYDI-KKMKTNMSSA-N	2	0	445.469	3.316	1	30		IGEFRP
CCCCCCCCCCCCS(=O)(=O)NCCC[NH2+]C/C=C/C[NH2+]CCC[NH3+]	ZINC000043543884	563120715	/nfs/dbraw/zinc/12/07/15/563120715.db2.gz	RHZMYQVTDKJLEF-VAWYXSNFSA-N	3	0	432.719	3.301	1	30		IGEFRP
C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CC[NH2+]1	ZINC000095598489	563192192	/nfs/dbraw/zinc/19/21/92/563192192.db2.gz	DEGFRWDZKYNNIP-NRFANRHFSA-N	2	0	445.611	3.227	1	30		IGEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(Cc1c[nH]c2ccccc12)Cc1cccc2ccccc21	ZINC000013440120	562986220	/nfs/dbraw/zinc/98/62/20/562986220.db2.gz	BJCYJTZOIYTVTC-QHCPKHFHSA-N	2	0	442.567	3.231	1	30		IGEFRP
NC(=[NH2+])NCCC[C@H]([NH2+]Cc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12	ZINC000013440189	562986258	/nfs/dbraw/zinc/98/62/58/562986258.db2.gz	PKLUWFADRRIBQE-DEOSSOPVSA-N	2	0	442.567	3.149	1	30		IGEFRP
COc1ccc2c(c1)/C(=N\OCCC[NH+](C)C)c1c-2c(N2CC[NH2+]CC2)nc2ccccc12	ZINC000029055452	563073421	/nfs/dbraw/zinc/07/34/21/563073421.db2.gz	PNUJPTIHYOIYLV-XLVZBRSZSA-N	2	0	445.567	3.354	1	30		IGEFRP
C/C(=N\OC[C@@H](O)C[NH2+]C(C)(C)C)c1cc(Cl)c(O[C@@H](C)C2=[NH+]CCN2)c(Cl)c1	ZINC000013446521	562987045	/nfs/dbraw/zinc/98/70/45/562987045.db2.gz	SJVFSIQHUZNKAD-XERVWHNGSA-N	2	0	445.391	3.252	1	30		IGEFRP
C/C(=N\OC[C@H](O)C[NH2+]C(C)(C)C)c1cc(Cl)c(O[C@H](C)C2=[NH+]CCN2)c(Cl)c1	ZINC000013446524	562987037	/nfs/dbraw/zinc/98/70/37/562987037.db2.gz	SJVFSIQHUZNKAD-ADSUXXRYSA-N	2	0	445.391	3.252	1	30		IGEFRP