smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC([NH+](C)Cc4ccncc4)C3)CC2)nc1	ZINC001164795247	721503070	/nfs/dbraw/zinc/50/30/70/721503070.db2.gz	INMRFKAEPSBYFW-SANMLTNESA-N	2	0	447.671	5.295	20	0		IKADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)nc1	ZINC001165021558	721829552	/nfs/dbraw/zinc/82/95/52/721829552.db2.gz	GAPYXRZXOCGWAZ-ALLMYJPZSA-N	2	0	447.671	5.151	20	0		IKADRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)cs1	ZINC001164692184	719814336	/nfs/dbraw/zinc/81/43/36/719814336.db2.gz	NFIKTNDIFZJRAH-UHFFFAOYSA-N	2	0	447.652	5.235	20	0		IKADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[NH+]3Cc3csc(C)n3)CC2)nc1	ZINC001164704540	719815696	/nfs/dbraw/zinc/81/56/96/719815696.db2.gz	ZHMUHTZYFCBTSO-QHCPKHFHSA-N	2	0	439.673	5.028	20	0		IKADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[NH+]3Cc3csc(C)n3)CC2)nc1	ZINC001164704538	719816053	/nfs/dbraw/zinc/81/60/53/719816053.db2.gz	ZHMUHTZYFCBTSO-HSZRJFAPSA-N	2	0	439.673	5.028	20	0		IKADRP
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2	ZINC001164795350	721501712	/nfs/dbraw/zinc/50/17/12/721501712.db2.gz	FTWCCIGDMXFEHZ-UHFFFAOYSA-N	2	0	441.623	5.111	20	0		IKADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([NH+](C)Cc4ccncc4)C3)CC2)nc1	ZINC001164795246	721502874	/nfs/dbraw/zinc/50/28/74/721502874.db2.gz	INMRFKAEPSBYFW-AREMUKBSSA-N	2	0	447.671	5.295	20	0		IKADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)nc1	ZINC001165021598	721829797	/nfs/dbraw/zinc/82/97/97/721829797.db2.gz	GAPYXRZXOCGWAZ-HDLKCZAISA-N	2	0	447.671	5.151	20	0		IKADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1	ZINC001165014193	721768422	/nfs/dbraw/zinc/76/84/22/721768422.db2.gz	DZLMWZVVJVTJJG-DEOSSOPVSA-N	2	0	441.579	5.530	20	0		IKADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1	ZINC001165014199	721768475	/nfs/dbraw/zinc/76/84/75/721768475.db2.gz	DZLMWZVVJVTJJG-XMMPIXPASA-N	2	0	441.579	5.530	20	0		IKADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)nc1	ZINC001165021596	721829709	/nfs/dbraw/zinc/82/97/09/721829709.db2.gz	GAPYXRZXOCGWAZ-FIGDICHHSA-N	2	0	447.671	5.151	20	0		IKADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)nc1	ZINC001165021594	721829607	/nfs/dbraw/zinc/82/96/07/721829607.db2.gz	GAPYXRZXOCGWAZ-CRJMXQGDSA-N	2	0	447.671	5.151	20	0		IKADRP