smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000035422037	522845143	/nfs/dbraw/zinc/84/51/43/522845143.db2.gz	ZZSLQENNXFIZHG-IBGZPJMESA-N	2	0	446.592	1.842	10	0		IDAERP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1	ZINC000020999090	524071096	/nfs/dbraw/zinc/07/10/96/524071096.db2.gz	XNVVUOBEBNQOFR-JOCHJYFZSA-N	2	0	428.577	1.800	10	0		IDAERP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1=NNC(=O)CC1	ZINC000015066187	524053340	/nfs/dbraw/zinc/05/33/40/524053340.db2.gz	BUHPETCBAYKFTP-UHFFFAOYSA-N	2	0	439.604	1.912	10	0		IDAERP
COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c1	ZINC000035422036	522843381	/nfs/dbraw/zinc/84/33/81/522843381.db2.gz	ZZSLQENNXFIZHG-LJQANCHMSA-N	2	0	446.592	1.842	10	0		IDAERP
C[NH+]1CCN(c2ncnc3c2cnn3CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1	ZINC000065295162	569131337	/nfs/dbraw/zinc/13/13/37/569131337.db2.gz	FDOGIWOZIYHDDM-UHFFFAOYSA-N	2	0	426.569	1.055	10	0		IDAERP
C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1	ZINC000035401450	524106431	/nfs/dbraw/zinc/10/64/31/524106431.db2.gz	PFOOKPWSNHBJEA-GOSISDBHSA-N	2	0	440.585	1.513	10	0		IDAERP
C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1	ZINC000035401455	526248891	/nfs/dbraw/zinc/24/88/91/526248891.db2.gz	PFOOKPWSNHBJEA-SFHVURJKSA-N	2	0	440.585	1.513	10	0		IDAERP
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000027717563	563045808	/nfs/dbraw/zinc/04/58/08/563045808.db2.gz	NSUSGNAFCIMCDH-UHFFFAOYSA-N	3	0	435.638	1.882	10	0	in-vitro	IDAERP
Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]CCC[NH2+]CCO)cc3)cc2n(C)c1=O	ZINC000013733197	556296741	/nfs/dbraw/zinc/29/67/41/556296741.db2.gz	KJQXGRPIZCSAKF-QFIPXVFZSA-N	2	0	428.533	1.051	10	0		IDAERP
O=C(NCCCNC(=O)Nc1cccc(C2=[NH+]CCN2)c1)Nc1cccc(C2=[NH+]CCN2)c1	ZINC000001718922	562924523	/nfs/dbraw/zinc/92/45/23/562924523.db2.gz	HHFOXYBNULCICF-UHFFFAOYSA-N	2	0	448.531	1.720	10	0		IDAERP
CC[NH+](CC)CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1	ZINC000064836101	568969197	/nfs/dbraw/zinc/96/91/97/568969197.db2.gz	VBOAFJXVIWIFFB-UHFFFAOYSA-N	2	0	436.560	1.663	10	0		IDAERP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1	ZINC000020999089	524071229	/nfs/dbraw/zinc/07/12/29/524071229.db2.gz	XNVVUOBEBNQOFR-QFIPXVFZSA-N	2	0	428.577	1.800	10	0		IDAERP
Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]CCC[NH2+]CCO)cc3)cc2n(C)c1=O	ZINC000013733200	556296847	/nfs/dbraw/zinc/29/68/47/556296847.db2.gz	KJQXGRPIZCSAKF-JOCHJYFZSA-N	2	0	428.533	1.051	10	0		IDAERP
O=C(CC[C@H]1C[N@H+](Cc2ccncc2)CC[C@H]1N1CCOCC1)NCC[NH+]1CCCCC1	ZINC000012190441	526574437	/nfs/dbraw/zinc/57/44/37/526574437.db2.gz	KLMZFDOMNOCYFT-BJKOFHAPSA-N	2	0	443.636	1.987	10	0		IDAERP