smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)C(C)C	ZINC000015275227	560230088	/nfs/dbraw/zinc/23/00/88/560230088.db2.gz	XTOQWMLQBSGKOK-VUBDRERZSA-N	1	0	596.774	-0.741	10	30	in-vitro	KBEERO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000026264533	561776041	/nfs/dbraw/zinc/77/60/41/561776041.db2.gz	QUGJDSBRQQJCLC-SDHOMARFSA-N	1	0	605.700	-0.918	10	30		KBEERO
CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026264969	561776173	/nfs/dbraw/zinc/77/61/73/561776173.db2.gz	YSUKJNAHJIVKOH-ISJGIBHGSA-N	1	0	605.700	-0.918	10	30		KBEERO
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000026576880	561800707	/nfs/dbraw/zinc/80/07/07/561800707.db2.gz	ORFISQWLBSTJAE-KTHKBMNISA-N	1	0	660.817	-0.062	10	30		KBEERO
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(C[N+]5(C)CCCC5)CS[C@H]34)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1	ZINC000094303205	553696133	/nfs/dbraw/zinc/69/61/33/553696133.db2.gz	MUXQKHHWKMMKIW-DRSCPLCZSA-P	1	0	761.953	-0.051	10	30	in-vitro	KBEERO
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1	ZINC000219103833	571604036	/nfs/dbraw/zinc/60/40/36/571604036.db2.gz	PWEMRMLJCWKESY-ULQDDVLXSA-N	1	0	532.558	-0.650	10	30		KBEERO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H]2CCCN2C1=O	ZINC000263621865	572132540	/nfs/dbraw/zinc/13/25/40/572132540.db2.gz	RCANPSOYHAFQSD-BEAVNXGFSA-N	1	0	780.972	-0.382	10	30	in-vitro	KBEERO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O	ZINC000263621866	572132609	/nfs/dbraw/zinc/13/26/09/572132609.db2.gz	RCANPSOYHAFQSD-HAGKOSKNSA-N	1	0	780.972	-0.382	10	30	in-vitro	KBEERO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCN2C1=O	ZINC000263621867	572132496	/nfs/dbraw/zinc/13/24/96/572132496.db2.gz	RCANPSOYHAFQSD-PUBQURTRSA-N	1	0	780.972	-0.382	10	30	in-vitro	KBEERO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O	ZINC000263621868	572132585	/nfs/dbraw/zinc/13/25/85/572132585.db2.gz	RCANPSOYHAFQSD-YVXSWOLNSA-N	1	0	780.972	-0.382	10	30	in-vitro	KBEERO
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(C[N+]5(C)CCCC5)CS[C@H]34)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1	ZINC000575627133	717184179	/nfs/dbraw/zinc/18/41/79/717184179.db2.gz	MUXQKHHWKMMKIW-RYOSCHNVSA-P	1	0	761.953	-0.051	10	30		KBEERO