smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2cc(C(=O)N3CCC([NH+]4CCC(Oc5nccs5)CC4)CC3)oc21	ZINC000217592450	569449639	/nfs/dbraw/zinc/44/96/39/569449639.db2.gz	MNFXXAWQUXJOMB-UHFFFAOYSA-N	1	0	441.553	4.046	50	70		IIIARO
COc1ccc(CNc2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)cc1	ZINC000218385397	557196804	/nfs/dbraw/zinc/19/68/04/557196804.db2.gz	WKDSYIHDYDSFRO-UHFFFAOYSA-N	1	0	436.581	4.158	50	70		IIIARO
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217599369	569449756	/nfs/dbraw/zinc/44/97/56/569449756.db2.gz	VUGZYAITWUKDKJ-XMMPIXPASA-N	1	0	444.579	4.363	50	70		IIIARO
CSc1ccc(CCC(=O)N2CCC([NH+]3CCC(Oc4nccs4)CC3)CC2)cc1	ZINC000217592745	569449714	/nfs/dbraw/zinc/44/97/14/569449714.db2.gz	NFOINBQGEDOUGN-UHFFFAOYSA-N	1	0	445.654	4.332	50	70		IIIARO
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217599280	569449751	/nfs/dbraw/zinc/44/97/51/569449751.db2.gz	VUGZYAITWUKDKJ-DEOSSOPVSA-N	1	0	444.579	4.363	50	70		IIIARO
Cc1ccc2cccc(C(=O)N3CCC([NH+]4CCC(Oc5nccs5)CC4)CC3)c2n1	ZINC000217592850	569449665	/nfs/dbraw/zinc/44/96/65/569449665.db2.gz	DJBGQTPVXJRTNL-UHFFFAOYSA-N	1	0	436.581	4.148	50	70		IIIARO
O=C(COc1ccc(Cl)cc1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217597586	569449655	/nfs/dbraw/zinc/44/96/55/569449655.db2.gz	GMCKJKASCLAEMK-HSZRJFAPSA-N	1	0	442.987	4.391	50	70		IIIARO
CCCCc1nc(C)sc1C(=O)NC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1	ZINC000218127310	557177228	/nfs/dbraw/zinc/17/72/28/557177228.db2.gz	RSBLOZBJZNHNRJ-UHFFFAOYSA-N	1	0	431.602	4.206	50	70		IIIARO
Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1ccc(OC(F)(F)F)cc1	ZINC000217682927	569451687	/nfs/dbraw/zinc/45/16/87/569451687.db2.gz	DQZGUVLFYWXYJF-OXJNMPFZSA-N	1	0	436.478	4.074	50	70	biogenic	IIIARO
Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4ccccc4F)CC3)CC2)cc1C	ZINC000217591910	569449695	/nfs/dbraw/zinc/44/96/95/569449695.db2.gz	ZJOAMPFDKHNXPM-UHFFFAOYSA-N	1	0	446.588	4.139	50	70		IIIARO
COc1ccc2cc(C(=O)N3CCC([N@@H+]4CCC[C@H]4COCc4ccccc4)CC3)[nH]c2c1	ZINC000217600537	569449786	/nfs/dbraw/zinc/44/97/86/569449786.db2.gz	FQABVQGLVQHQBT-QHCPKHFHSA-N	1	0	447.579	4.462	50	70		IIIARO
COc1ccc2cc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4COCc4ccccc4)CC3)[nH]c2c1	ZINC000217600452	569449782	/nfs/dbraw/zinc/44/97/82/569449782.db2.gz	FQABVQGLVQHQBT-HSZRJFAPSA-N	1	0	447.579	4.462	50	70		IIIARO
O=C(COc1ccc(Cl)cc1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217597499	569449672	/nfs/dbraw/zinc/44/96/72/569449672.db2.gz	GMCKJKASCLAEMK-QHCPKHFHSA-N	1	0	442.987	4.391	50	70		IIIARO
CCOc1ccccc1NC(=O)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217593733	569449707	/nfs/dbraw/zinc/44/97/07/569449707.db2.gz	KYAFKPZDZRASID-UHFFFAOYSA-N	1	0	430.574	4.082	50	70		IIIARO
O=S(=O)(/C=C/c1ccccc1)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591793	569449674	/nfs/dbraw/zinc/44/96/74/569449674.db2.gz	LZHHJSQWBBDUOB-XMHGGMMESA-N	1	0	444.572	4.134	50	70		IIIARO
O=C(Cc1cccc2ccccc21)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217593318	569449709	/nfs/dbraw/zinc/44/97/09/569449709.db2.gz	YJWOUWOZJLSYRC-UHFFFAOYSA-N	1	0	435.593	4.373	50	70		IIIARO