smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064448165	563153327	/nfs/dbraw/zinc/15/33/27/563153327.db2.gz	GVXINRLUIFAHLE-FQEVSTJZSA-N	1	1	441.491	2.012	1	10		IECFMO
CN1c2ccccc2C(=O)N2[C@H](C(=O)N3CC[NH+](C)CC3)Cc3c4ccccc4[nH]c3[C@@H]12	ZINC000096940368	563200172	/nfs/dbraw/zinc/20/01/72/563200172.db2.gz	BZGOHZANQYHEHZ-GMAHTHKFSA-N	1	1	429.524	2.457	1	10		IECFMO
CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+](C)C)cc1C2=O	ZINC000013556223	562993178	/nfs/dbraw/zinc/99/31/78/562993178.db2.gz	AQCKBKAIOZBOLD-UHFFFAOYSA-N	1	1	436.512	2.242	1	10		IECFMO
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1	ZINC000015937540	563019286	/nfs/dbraw/zinc/01/92/86/563019286.db2.gz	MNXLAAOZWAESRJ-IBGZPJMESA-N	1	1	439.516	2.310	3	10		IECFMO
CN1c2ccccc2C(=O)N2[C@@H](C(=O)N3CC[NH+](C)CC3)Cc3c4ccccc4[nH]c3[C@H]12	ZINC000096940369	563200201	/nfs/dbraw/zinc/20/02/01/563200201.db2.gz	BZGOHZANQYHEHZ-FYYLOGMGSA-N	1	1	429.524	2.457	1	10		IECFMO
CN(C)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CC[NH+](C)C)c1C2=O	ZINC000013556206	562993195	/nfs/dbraw/zinc/99/31/95/562993195.db2.gz	YXNNAMQSLYSKND-UHFFFAOYSA-N	1	1	436.512	2.242	1	10		IECFMO
Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1	ZINC000015937539	563019281	/nfs/dbraw/zinc/01/92/81/563019281.db2.gz	MNXLAAOZWAESRJ-LJQANCHMSA-N	1	1	439.516	2.310	3	10		IECFMO
Cc1ccc(/C=C/C(=O)N2CC[NH+](CCCNC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1	ZINC000058590522	563145343	/nfs/dbraw/zinc/14/53/43/563145343.db2.gz	RTPNTKLGUUHIBG-BQYQJAHWSA-N	1	1	439.512	2.089	1	10		IECFMO
CN(C)CCC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000026972509	563038418	/nfs/dbraw/zinc/03/84/18/563038418.db2.gz	MOLNOJMQDXFBME-UHFFFAOYSA-N	1	1	436.512	2.242	1	10		IECFMO
CC(=S)NNC[C@H]1CN(c2ccc(OCC[NH+]3CCSCC3)c(F)c2)C(=O)O1	ZINC000027411721	563041902	/nfs/dbraw/zinc/04/19/02/563041902.db2.gz	SKYSRVJACHXOHO-HNNXBMFYSA-N	1	1	428.555	2.020	1	10		IECFMO
[NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447838	563153322	/nfs/dbraw/zinc/15/33/22/563153322.db2.gz	GVXINRLUIFAHLE-HXUWFJFHSA-N	1	1	441.491	2.012	1	10		IECFMO
CN(C)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CC[NH+](C)C)cccc1C2=O	ZINC000004393905	562943214	/nfs/dbraw/zinc/94/32/14/562943214.db2.gz	ANVAUNVCPJJTSF-UHFFFAOYSA-N	1	1	436.512	2.242	1	10		IECFMO
C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(N(C)C)cc2C1=O	ZINC000061947901	563151432	/nfs/dbraw/zinc/15/14/32/563151432.db2.gz	VHHIAINGBKGYCV-IEGUWTFLSA-N	1	1	426.561	2.500	3	10		IECFMO
Cc1c(C(=O)N2CC[NH+](C)CC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000064511763	563153983	/nfs/dbraw/zinc/15/39/83/563153983.db2.gz	PTGLKWZOIOHGES-UHFFFAOYSA-N	1	1	438.553	2.488	1	10		IECFMO
CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+](C)C)ccc1C2=O	ZINC000004393912	562943220	/nfs/dbraw/zinc/94/32/20/562943220.db2.gz	JIMGGRBZTYNLQQ-UHFFFAOYSA-N	1	1	436.512	2.242	1	10		IECFMO