smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCN(C)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1	ZINC000020779930	520642103	/nfs/dbraw/zinc/64/21/03/520642103.db2.gz	BANOQSIWSFKICR-RUZDIDTESA-N	1	3	425.617	3.258	10	0		IGAEHO
COc1ccc(CN(C)CCc2cn[nH]c2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1	ZINC000012297810	524004596	/nfs/dbraw/zinc/00/45/96/524004596.db2.gz	FFTDWYRZVQXJQL-JOCHJYFZSA-N	1	3	430.593	3.099	10	0		IGAEHO
Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)[C@@H](N)CCCC[NH3+])c(F)c3)oc2c1F	ZINC000001862893	562925136	/nfs/dbraw/zinc/92/51/36/562925136.db2.gz	WHWJKUICJXPKFQ-ZDUSSCGKSA-N	1	3	448.445	3.163	10	0		IGAEHO
COc1ccc(CNCc2n[nH]c3c2CCC3)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012304934	524073538	/nfs/dbraw/zinc/07/35/38/524073538.db2.gz	MXYWPYOLKIRSDS-HXUWFJFHSA-N	1	3	442.604	3.203	10	0		IGAEHO
CCC[C@H](N[C@@H]1COc2ccccc2C1)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1	ZINC000071341943	563162670	/nfs/dbraw/zinc/16/26/70/563162670.db2.gz	BOFBOKLRCCXCOC-SFTDATJTSA-N	1	3	439.604	3.415	10	0		IGAEHO
COc1cc(CN(C)CCn2ccnc2C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012301059	522351625	/nfs/dbraw/zinc/35/16/25/522351625.db2.gz	YHPSBSMDAYHUPK-HSZRJFAPSA-N	1	3	444.620	3.338	10	0		IGAEHO
CC[NH+](CC)CCN(C)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1	ZINC000020779927	520640643	/nfs/dbraw/zinc/64/06/43/520640643.db2.gz	BANOQSIWSFKICR-VWLOTQADSA-N	1	3	425.617	3.258	10	0		IGAEHO
CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2ccc3nsnc3c2)cc1OC	ZINC000012582543	520736709	/nfs/dbraw/zinc/73/67/09/520736709.db2.gz	LMKLVLLNWJTSAL-SFHVURJKSA-N	1	3	430.574	3.071	10	0		IGAEHO
CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2ccc3nsnc3c2)cc1OC	ZINC000012582535	520723448	/nfs/dbraw/zinc/72/34/48/520723448.db2.gz	LMKLVLLNWJTSAL-GOSISDBHSA-N	1	3	430.574	3.071	10	0		IGAEHO
COc1ccc(CN(C)CCc2cn[nH]c2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1	ZINC000012297809	524004152	/nfs/dbraw/zinc/00/41/52/524004152.db2.gz	FFTDWYRZVQXJQL-QFIPXVFZSA-N	1	3	430.593	3.099	10	0		IGAEHO
O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)NCCN1CCCCC1	ZINC000012278735	526575405	/nfs/dbraw/zinc/57/54/05/526575405.db2.gz	WFKOCYFYNCFUAO-LOSJGSFVSA-N	1	3	426.649	3.355	10	0		IGAEHO
COc1cc(CN(C)CCn2ccnc2C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012301056	522352936	/nfs/dbraw/zinc/35/29/36/522352936.db2.gz	YHPSBSMDAYHUPK-QHCPKHFHSA-N	1	3	444.620	3.338	10	0		IGAEHO
[NH3+]CCOc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21	ZINC000077285414	569293109	/nfs/dbraw/zinc/29/31/09/569293109.db2.gz	MQASJEXGQFESBA-GOSISDBHSA-N	1	3	435.524	3.067	10	0	in-vitro	IGAEHO
CCC[C@H](N[C@H]1COc2ccccc2C1)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1	ZINC000071341941	563162625	/nfs/dbraw/zinc/16/26/25/563162625.db2.gz	BOFBOKLRCCXCOC-RTWAWAEBSA-N	1	3	439.604	3.415	10	0		IGAEHO
COc1cc(CN2CCC(CCO)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012592124	522368784	/nfs/dbraw/zinc/36/87/84/522368784.db2.gz	USHCMVHHZFZQBA-HSZRJFAPSA-N	1	3	434.621	3.295	10	0		IGAEHO
COc1cc(CN2CCC(CCO)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012592118	522369910	/nfs/dbraw/zinc/36/99/10/522369910.db2.gz	USHCMVHHZFZQBA-QHCPKHFHSA-N	1	3	434.621	3.295	10	0		IGAEHO
COc1ccc(CNCc2n[nH]c3c2CCC3)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012304932	524073220	/nfs/dbraw/zinc/07/32/20/524073220.db2.gz	MXYWPYOLKIRSDS-FQEVSTJZSA-N	1	3	442.604	3.203	10	0		IGAEHO
[NH3+]CCOc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c21	ZINC000077285418	569293164	/nfs/dbraw/zinc/29/31/64/569293164.db2.gz	MQASJEXGQFESBA-SFHVURJKSA-N	1	3	435.524	3.067	10	0	in-vitro	IGAEHO