smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]12	ZINC000261139420	717179074	/nfs/dbraw/zinc/17/90/74/717179074.db2.gz	MUQUYTSLDVKIOF-HRBFACKHSA-N	2	0	666.910	5.476	10	30	world	KKEERP
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H]([NH+]6CCC7(CC6)OCCO7)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000003943760	717097854	/nfs/dbraw/zinc/09/78/54/717097854.db2.gz	TZBMWTPZBSWGIA-QSRIZTMZSA-N	2	0	627.887	5.485	10	30		KKEERP
C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]12	ZINC000261139424	717179279	/nfs/dbraw/zinc/17/92/79/717179279.db2.gz	MUQUYTSLDVKIOF-YZPIQMEPSA-N	2	0	666.910	5.476	10	30	world	KKEERP
C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]12	ZINC000936069914	717195283	/nfs/dbraw/zinc/19/52/83/717195283.db2.gz	MUQUYTSLDVKIOF-RCQPHSPWSA-N	2	0	666.910	5.476	10	30	in-man	KKEERP
C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]12	ZINC000936069913	717195358	/nfs/dbraw/zinc/19/53/58/717195358.db2.gz	MUQUYTSLDVKIOF-HNUVKQNESA-N	2	0	666.910	5.476	10	30	in-man	KKEERP
CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC	ZINC000101086292	562809074	/nfs/dbraw/zinc/80/90/74/562809074.db2.gz	VPXVPJQOPRBXPO-UHFFFAOYSA-N	2	0	632.890	6.267	10	30	in-vivo	KKEERP
C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]12	ZINC000261506635	717179467	/nfs/dbraw/zinc/17/94/67/717179467.db2.gz	MUQUYTSLDVKIOF-BBMNSBIFSA-N	2	0	666.910	5.476	10	30	in-man	KKEERP
CCOCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCOCC)cc3)cc2)cc1	ZINC000027628812	561873510	/nfs/dbraw/zinc/87/35/10/561873510.db2.gz	AEFRHFMMYFAWIE-UHFFFAOYSA-N	2	0	546.752	5.612	10	30		KKEERP
CCCCCCCN1C(C)=CS/C1=C/C=C(/C=C/c1scc(C)[n+]1CCCCCCC)c1scc(C)[n+]1CCCCCCC	ZINC000008214661	561705288	/nfs/dbraw/zinc/70/52/88/561705288.db2.gz	FKFUHAJJKUCVRF-UHFFFAOYSA-N	2	0	656.128	11.761	10	30	in-man	KKEERP
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H]([NH+]6CCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000141820457	717152436	/nfs/dbraw/zinc/15/24/36/717152436.db2.gz	ZBERWBSQQIKWNH-XQIGCQGXSA-N	2	0	555.824	5.742	10	30		KKEERP
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000141820881	717152529	/nfs/dbraw/zinc/15/25/29/717152529.db2.gz	LBWBPSXAJLSPRH-OOJCLDBCSA-N	2	0	513.787	5.171	10	30		KKEERP
CCCCCCCCN(CCCCCCCC)c1ccc2cc(/C=C\c3cc[n+](CCC[N+](C)(C)C)cc3)ccc2c1	ZINC000095714102	717139809	/nfs/dbraw/zinc/13/98/09/717139809.db2.gz	SARRWQDLFAASEH-UHFFFAOYSA-N	2	0	571.938	9.921	10	30		KKEERP