smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@@H](c5ccccc5OCC)N=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426937	571491217	/nfs/dbraw/zinc/49/12/17/571491217.db2.gz	QMVXVSWVTPWNGR-BCRBLDSWSA-N	1	3	828.985	5.107	50	30		KKEAHO
Brc1ccc(/C=N/CC23C[C@H]4C[C@@H](C2)CC(C/[NH+]=C\c2ccc(Br)cc2)(C4)C3)cc1	ZINC000250052364	572258944	/nfs/dbraw/zinc/25/89/44/572258944.db2.gz	JNEOYAFNPOAWAH-OVLDJUFPSA-N	1	3	528.332	7.336	50	30		KKEAHO
Brc1ccc(/C=[NH+]/CC23C[C@@H]4C[C@@H](CC(C/N=C\c5ccc(Br)cc5)(C4)C2)C3)cc1	ZINC000250052364	572258945	/nfs/dbraw/zinc/25/89/45/572258945.db2.gz	JNEOYAFNPOAWAH-OVLDJUFPSA-N	1	3	528.332	7.336	50	30		KKEAHO
CN(C)c1ccc(C=NC2=C(N3CCN(C4=C([NH+]=Cc5ccc(N(C)C)cc5)C(=O)CC(C)(C)C4)CC3)CC(C)(C)CC2=O)cc1	ZINC000252590835	572266688	/nfs/dbraw/zinc/26/66/88/572266688.db2.gz	AVTSXQOYQSYOAN-UHFFFAOYSA-N	1	3	622.858	6.176	50	30		KKEAHO
CCOc1ccccc1[C@@H]1N=C(N)NC(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@H](c5ccccc5OCC)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)=N1	ZINC000150426945	571491201	/nfs/dbraw/zinc/49/12/01/571491201.db2.gz	QMVXVSWVTPWNGR-FZNHDDJXSA-N	1	3	828.985	5.107	50	30		KKEAHO
CC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(C[NH+]3CCCCC3)c2O)c([O-])c(C[NH+]2CCCCC2)c1	ZINC000102319923	1071307525	/nfs/dbraw/zinc/30/75/25/1071307525.db2.gz	QWZFCHMBYWXSLV-RUMICSQKSA-N	1	3	628.946	8.514	50	30		KKEAHO
Brc1ccc(/C=N/CCC23CC4CC(C2)CC(CC/[NH+]=C/c2ccc(Br)cc2)(C4)C3)cc1	ZINC000097984579	554017485	/nfs/dbraw/zinc/01/74/85/554017485.db2.gz	QCKQVWLMQKZYME-QCPYDNSOSA-N	1	3	556.386	8.116	50	30		KKEAHO
Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCC[NH+]4CCCC4)c3)CC2)c2ccccc12	ZINC000231558920	562881162	/nfs/dbraw/zinc/88/11/62/562881162.db2.gz	PNYRDVBFYVDJJI-UHFFFAOYSA-N	1	3	574.773	5.526	50	30	in-vitro	KKEAHO
C=CCNCC1=C(Sc2ccccc2)c2sc(-n3cccc3C[NH2+]CC=C)c(C(=O)OCC)c2CC1	ZINC000057263041	554353465	/nfs/dbraw/zinc/35/34/65/554353465.db2.gz	LBWPDTVKRQZVCP-UHFFFAOYSA-N	1	3	519.736	6.216	50	30		KKEAHO
CN(C)c1ccc(/C=N/C2=C(N3CCN(C4=C(/[NH+]=C/c5ccc(N(C)C)cc5)C(=O)CC(C)(C)C4)CC3)CC(C)(C)CC2=O)cc1	ZINC000008431195	553022701	/nfs/dbraw/zinc/02/27/01/553022701.db2.gz	AVTSXQOYQSYOAN-YXTVXKGXSA-N	1	3	622.858	6.176	50	30		KKEAHO
CCCCCCCCCCCC(=O)OCC[NH2+]CCNc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000097973070	553968300	/nfs/dbraw/zinc/96/83/00/553968300.db2.gz	RVZLTNCNKGYAAC-UHFFFAOYSA-N	1	3	528.137	7.516	50	30		KKEAHO