smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CCN(C)[C@@H](C)C2)cc1	ZINC000167627099	136196994	/nfs/dbraw/zinc/19/69/94/136196994.db2.gz	ISQPPFGYKGDIHL-SFHVURJKSA-N	1	3	388.559	5.352	1	0		GKAFHO
CC(C)C1=NCCc2cc([C@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000137098628	581093955	/nfs/dbraw/zinc/09/39/55/581093955.db2.gz	YNSGCLWGJIGXJS-BJKOFHAPSA-N	1	3	381.523	5.396	1	0		GKAFHO
CC(C)C1=NCCc2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000028369692	581094030	/nfs/dbraw/zinc/09/40/30/581094030.db2.gz	YNSGCLWGJIGXJS-RPWUZVMVSA-N	1	3	381.523	5.396	1	0		GKAFHO
[NH3+]CCCCCCCCCCCCNc1c2ccccc2nc2c1CCCC2	ZINC000013801233	210091774	/nfs/dbraw/zinc/09/17/74/210091774.db2.gz	AUWJPKWQQCCYFJ-UHFFFAOYSA-N	1	3	381.608	6.385	1	0		GKAFHO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@@H+]5CCC[C@@H]5CN)c4)cc3)nc21	ZINC000045188632	205092615	/nfs/dbraw/zinc/09/26/15/205092615.db2.gz	PPOAXIKBTDFKPJ-HSZRJFAPSA-N	1	3	396.538	5.128	1	0		GKAFHO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@H+]5CCC[C@@H]5CN)c4)cc3)nc21	ZINC000045188632	205092618	/nfs/dbraw/zinc/09/26/18/205092618.db2.gz	PPOAXIKBTDFKPJ-HSZRJFAPSA-N	1	3	396.538	5.128	1	0		GKAFHO
CC(C)C1=NCCc2ccc([C@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21	ZINC000028362213	207340268	/nfs/dbraw/zinc/34/02/68/207340268.db2.gz	APXAIXPMIFECKD-XZOQPEGZSA-N	1	3	381.523	5.396	1	0		GKAFHO
CC(C)C1=NCCc2cc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000137098686	581093961	/nfs/dbraw/zinc/09/39/61/581093961.db2.gz	YNSGCLWGJIGXJS-ZEQRLZLVSA-N	1	3	381.523	5.396	1	0		GKAFHO
Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[N@@H+]5CCC[C@@H]5CN)cc4)c3)nc21	ZINC000045167090	205093185	/nfs/dbraw/zinc/09/31/85/205093185.db2.gz	NVSSXLMIYICOHL-HSZRJFAPSA-N	1	3	396.538	5.128	1	0		GKAFHO
Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[N@H+]5CCC[C@@H]5CN)cc4)c3)nc21	ZINC000045167090	205093188	/nfs/dbraw/zinc/09/31/88/205093188.db2.gz	NVSSXLMIYICOHL-HSZRJFAPSA-N	1	3	396.538	5.128	1	0		GKAFHO
CC(C)C1=NCCc2cc([C@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc21	ZINC000028369699	581093938	/nfs/dbraw/zinc/09/39/38/581093938.db2.gz	YNSGCLWGJIGXJS-DNQXCXABSA-N	1	3	381.523	5.396	1	0		GKAFHO
CC(C)C1CCC(N2CCC3(CC2)[C@H](c2ccccc2)C[C@H]2C[N@@H+](C)C[C@H]23)CC1	ZINC000029487460	207362197	/nfs/dbraw/zinc/36/21/97/207362197.db2.gz	FNTLZGSLCSXJMW-KGDPBBFQSA-N	1	3	394.647	5.649	1	0		GKAFHO
CC(C)C1CCC(N2CCC3(CC2)[C@H](c2ccccc2)C[C@H]2C[N@H+](C)C[C@H]23)CC1	ZINC000029487460	207362202	/nfs/dbraw/zinc/36/22/02/207362202.db2.gz	FNTLZGSLCSXJMW-KGDPBBFQSA-N	1	3	394.647	5.649	1	0		GKAFHO
Cc1ccc(C)c2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)[nH+]c12	ZINC000169361837	136197341	/nfs/dbraw/zinc/19/73/41/136197341.db2.gz	KTKKHYOEEDBCLW-SFHVURJKSA-N	1	3	388.559	5.352	1	0		GKAFHO
c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2ccncc2)CCCC1	ZINC000013801250	581091216	/nfs/dbraw/zinc/09/12/16/581091216.db2.gz	DAKMZCNUVKKBIH-UHFFFAOYSA-N	1	3	388.559	5.983	1	0		GKAFHO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@@H+]5CCC[C@H]5CN)c4)cc3)nc21	ZINC000045188635	205093121	/nfs/dbraw/zinc/09/31/21/205093121.db2.gz	PPOAXIKBTDFKPJ-QHCPKHFHSA-N	1	3	396.538	5.128	1	0		GKAFHO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@H+]5CCC[C@H]5CN)c4)cc3)nc21	ZINC000045188635	205093124	/nfs/dbraw/zinc/09/31/24/205093124.db2.gz	PPOAXIKBTDFKPJ-QHCPKHFHSA-N	1	3	396.538	5.128	1	0		GKAFHO
C[NH+](C)C12C[C@@H](c3ccc(Cl)cc3)C(NCC1)[C@H](c1ccc(Cl)cc1)C2	ZINC000040423249	205065065	/nfs/dbraw/zinc/06/50/65/205065065.db2.gz	QJYWMVPXSZVTQK-PHZLKFDYSA-N	1	3	389.370	5.317	1	0		GKAFHO
CN(C)C12C[C@@H](c3ccc(Cl)cc3)C([NH2+]CC1)[C@H](c1ccc(Cl)cc1)C2	ZINC000040423249	205065069	/nfs/dbraw/zinc/06/50/69/205065069.db2.gz	QJYWMVPXSZVTQK-PHZLKFDYSA-N	1	3	389.370	5.317	1	0		GKAFHO
CCN(CC)CCC[NH2+]CCCCCCNc1ccnc2cc(Cl)ccc21	ZINC000040616216	205068099	/nfs/dbraw/zinc/06/80/99/205068099.db2.gz	IVCIQCADGPOOTJ-UHFFFAOYSA-N	1	3	391.003	5.182	1	0		GKAFHO