smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(c1cc2c(n[n+]3c4cc(S(=O)(=O)N5CCOCC5)cc(S(=O)(=O)N5CCOCC5)c4[nH]n23)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1	ZINC000095615993	553705979	/nfs/dbraw/zinc/70/59/79/553705979.db2.gz	LZPXDLVJHHJGQB-UHFFFAOYSA-N	1	0	805.916	-2.362	40	5		KABBRO
C[S@@](=O)CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000095627901	553706337	/nfs/dbraw/zinc/70/63/37/553706337.db2.gz	GZNCHAAJGRIQGO-AHNJQLHGSA-N	1	0	673.749	-1.256	40	5		KABBRO
C[S@](=O)CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000095627902	553706329	/nfs/dbraw/zinc/70/63/29/553706329.db2.gz	GZNCHAAJGRIQGO-ZLXWLJCASA-N	1	0	673.749	-1.256	40	5		KABBRO
C[S@](=O)CC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C(N)=O	ZINC000196073417	1066218863	/nfs/dbraw/zinc/21/88/63/1066218863.db2.gz	GZNCHAAJGRIQGO-QJDYPVOVSA-N	1	0	673.749	-1.256	40	5		KABBRO
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O)C(N)=O	ZINC000263583904	572114901	/nfs/dbraw/zinc/11/49/01/572114901.db2.gz	DNHLXQYJSUDBJO-KPVWSTNPSA-N	1	0	795.812	-3.592	40	5		KABBRO
C[S@](=O)CC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000644163869	1066219512	/nfs/dbraw/zinc/21/95/12/1066219512.db2.gz	GZNCHAAJGRIQGO-FUJGUBGKSA-N	1	0	673.749	-1.256	40	5		KABBRO
C[S@](=O)CC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000644163870	1066219532	/nfs/dbraw/zinc/21/95/32/1066219532.db2.gz	GZNCHAAJGRIQGO-MRZVWIJVSA-N	1	0	673.749	-1.256	40	5		KABBRO
C[S@](=O)CC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C(N)=O	ZINC000644163871	1066219434	/nfs/dbraw/zinc/21/94/34/1066219434.db2.gz	GZNCHAAJGRIQGO-RZHGWZGSSA-N	1	0	673.749	-1.256	40	5		KABBRO
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@H](CSc1ncccc1[N+](=O)[O-])C(=O)NCC(N)=O	ZINC000644163963	1066220222	/nfs/dbraw/zinc/22/02/22/1066220222.db2.gz	RUUXMQHJVXHBGZ-AHUIOXCRSA-N	1	0	772.886	-1.230	40	5		KABBRO
CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@H](CSc1ncccc1[N+](=O)[O-])C(=O)NCC(N)=O	ZINC000644163964	1066220240	/nfs/dbraw/zinc/22/02/40/1066220240.db2.gz	RUUXMQHJVXHBGZ-BTKREZLGSA-N	1	0	772.886	-1.230	40	5		KABBRO
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@@H](CSc1ncccc1[N+](=O)[O-])C(=O)NCC(N)=O	ZINC000644163965	1066220052	/nfs/dbraw/zinc/22/00/52/1066220052.db2.gz	RUUXMQHJVXHBGZ-HVTZTZCHSA-N	1	0	772.886	-1.230	40	5		KABBRO
CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@@H](CSc1ncccc1[N+](=O)[O-])C(=O)NCC(N)=O	ZINC000644163966	1066219979	/nfs/dbraw/zinc/21/99/79/1066219979.db2.gz	RUUXMQHJVXHBGZ-TZYZLUFDSA-N	1	0	772.886	-1.230	40	5		KABBRO
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)O)C(N)=O	ZINC000644164286	1066220508	/nfs/dbraw/zinc/22/05/08/1066220508.db2.gz	DNHLXQYJSUDBJO-HRFDIGJESA-N	1	0	795.812	-3.592	40	5		KABBRO
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)O)C(N)=O	ZINC000644164287	1066220619	/nfs/dbraw/zinc/22/06/19/1066220619.db2.gz	DNHLXQYJSUDBJO-KPQPFFLJSA-N	1	0	795.812	-3.592	40	5		KABBRO
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O)C(N)=O	ZINC000644164288	1066220599	/nfs/dbraw/zinc/22/05/99/1066220599.db2.gz	DNHLXQYJSUDBJO-LZHUWRPMSA-N	1	0	795.812	-3.592	40	5		KABBRO
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O)C(N)=O	ZINC000644164289	1066220632	/nfs/dbraw/zinc/22/06/32/1066220632.db2.gz	DNHLXQYJSUDBJO-OLOMSLDVSA-N	1	0	795.812	-3.592	40	5		KABBRO