smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCC[NH+](C)C)C2)cc1OC	ZINC000014536444	553518160	/nfs/dbraw/zinc/51/81/60/553518160.db2.gz	KJDQDDHZEDQYJJ-LOSJGSFVSA-N	1	3	522.690	3.337	50	0		KGAAHO
CCC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(C3Cc4ccccc4C3)C2)CC1	ZINC000020780730	553698084	/nfs/dbraw/zinc/69/80/84/553698084.db2.gz	QMNNZPNNGQVKEW-IAPPQJPRSA-N	1	3	518.702	3.148	50	0		KGAAHO
CCCN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(C3Cc4ccccc4C3)C2)CC1	ZINC000020780730	553698083	/nfs/dbraw/zinc/69/80/83/553698083.db2.gz	QMNNZPNNGQVKEW-IAPPQJPRSA-N	1	3	518.702	3.148	50	0		KGAAHO
CCC[NH+]1CCC(N2C[C@@H](NCc3ccccc3F)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000020999639	1060024800	/nfs/dbraw/zinc/02/48/00/1060024800.db2.gz	DBVAQHHEYXULHC-OZXSUGGESA-N	1	3	510.654	3.320	50	0		KGAAHO
CCC[NH+]1CCC(N2C[C@@H](NCc3ccc(F)cc3F)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000023158673	1059017983	/nfs/dbraw/zinc/01/79/83/1059017983.db2.gz	YGJQIIVFSNYDIB-OZXSUGGESA-N	1	3	528.644	3.459	50	0		KGAAHO
CCC[NH+]1CCC(N2C[C@@H](NCc3cc(F)ccc3F)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000023374033	1059028552	/nfs/dbraw/zinc/02/85/52/1059028552.db2.gz	MRENXAPFROVGEV-OZXSUGGESA-N	1	3	528.644	3.459	50	0		KGAAHO
COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)C2)cc1OC	ZINC000102814038	555075714	/nfs/dbraw/zinc/07/57/14/555075714.db2.gz	KGHNPLQWNBGEBU-CMTIAEDTSA-N	1	3	534.701	3.432	50	0		KGAAHO
COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)N3CC[C@H]([NH+](C)C)C3)C2)cc1OC	ZINC000102814040	555075742	/nfs/dbraw/zinc/07/57/42/555075742.db2.gz	KGHNPLQWNBGEBU-OBDYRVMHSA-N	1	3	534.701	3.432	50	0		KGAAHO
O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCN(Cc2cccnc2)CCC(=O)NCC1	ZINC000257183702	1059547477	/nfs/dbraw/zinc/54/74/77/1059547477.db2.gz	SGCZQAPOELIFAO-AREMUKBSSA-N	1	3	509.670	3.358	50	0		KGAAHO
O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCN(Cc2cccnc2)CCC(=O)NCC1	ZINC000257183703	1059081529	/nfs/dbraw/zinc/08/15/29/1059081529.db2.gz	SGCZQAPOELIFAO-SANMLTNESA-N	1	3	509.670	3.358	50	0		KGAAHO
O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1	ZINC000257184355	1059080758	/nfs/dbraw/zinc/08/07/58/1059080758.db2.gz	ILXIFIAFSLUTHK-AREMUKBSSA-N	1	3	509.670	3.358	50	0		KGAAHO
O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1	ZINC000257184355	1059080742	/nfs/dbraw/zinc/08/07/42/1059080742.db2.gz	ILXIFIAFSLUTHK-AREMUKBSSA-N	1	3	509.670	3.358	50	0		KGAAHO
O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1	ZINC000257184356	1059080825	/nfs/dbraw/zinc/08/08/25/1059080825.db2.gz	ILXIFIAFSLUTHK-SANMLTNESA-N	1	3	509.670	3.358	50	0		KGAAHO
O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1	ZINC000257184356	1059080820	/nfs/dbraw/zinc/08/08/20/1059080820.db2.gz	ILXIFIAFSLUTHK-SANMLTNESA-N	1	3	509.670	3.358	50	0		KGAAHO