smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2nc(C[NH2+]CCC[NH+](C)C)c(C)o2)cc1	ZINC000072183427	191072709	/nfs/dbraw/zinc/07/27/09/191072709.db2.gz	KSVMBFXLGABJEY-UHFFFAOYSA-N	2	2	303.406	2.700	1	0		DFAFLP
CCc1cn2c([nH+]1)c1c(nc2Cc2ccccc2)CC[NH2+]CC1	ZINC000045290988	183495844	/nfs/dbraw/zinc/49/58/44/183495844.db2.gz	PRMJFRGMHJTGSX-UHFFFAOYSA-N	2	2	306.413	2.571	1	0		DFAFLP
C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@@H]42)[C@@H]2CCCC[N@@H+]2C3)[NH2+]C1	ZINC000013431926	560216685	/nfs/dbraw/zinc/21/66/85/560216685.db2.gz	YUKCLPPRYNXRAF-MILMJNAHSA-N	3	2	317.521	2.761	1	0	biogenic,in-vitro	DFAFLP
C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@@H]42)[C@@H]2CCCC[N@H+]2C3)[NH2+]C1	ZINC000013431926	560216687	/nfs/dbraw/zinc/21/66/87/560216687.db2.gz	YUKCLPPRYNXRAF-MILMJNAHSA-N	3	2	317.521	2.761	1	0	biogenic,in-vitro	DFAFLP
C[NH+]1CCN(c2nc(N)[nH+]c3cc(-c4ccccc4)ccc32)CC1	ZINC000073220159	191294856	/nfs/dbraw/zinc/29/48/56/191294856.db2.gz	NGNHOAAALNOASV-UHFFFAOYSA-N	2	2	319.412	2.631	1	0		DFAFLP
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[NH2+]CC[NH+](C)C)O2	ZINC000022934160	182342693	/nfs/dbraw/zinc/34/26/93/182342693.db2.gz	KUROLVMGEZKCTP-SFHVURJKSA-N	2	2	306.450	2.552	1	0		DFAFLP
Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)cn1	ZINC000039515487	183019793	/nfs/dbraw/zinc/01/97/93/183019793.db2.gz	AAWMCDUOGYHGBU-GOSISDBHSA-N	2	2	304.482	2.754	1	0		DFAFLP
Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)cn1	ZINC000039515487	183019794	/nfs/dbraw/zinc/01/97/94/183019794.db2.gz	AAWMCDUOGYHGBU-GOSISDBHSA-N	2	2	304.482	2.754	1	0		DFAFLP
Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)cn1	ZINC000039515487	183019796	/nfs/dbraw/zinc/01/97/96/183019796.db2.gz	AAWMCDUOGYHGBU-GOSISDBHSA-N	2	2	304.482	2.754	1	0		DFAFLP
Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)cn1	ZINC000039515487	183019797	/nfs/dbraw/zinc/01/97/97/183019797.db2.gz	AAWMCDUOGYHGBU-GOSISDBHSA-N	2	2	304.482	2.754	1	0		DFAFLP
CC(C)n1nc(-c2ccc3[nH+]ccc(N)c3c2)c2c1nc[nH+]c2N	ZINC000064479882	184297950	/nfs/dbraw/zinc/29/79/50/184297950.db2.gz	GDPCGYDMVIPGLD-UHFFFAOYSA-N	2	2	319.372	2.787	1	0		DFAFLP
Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)cn1	ZINC000039515488	183019072	/nfs/dbraw/zinc/01/90/72/183019072.db2.gz	AAWMCDUOGYHGBU-SFHVURJKSA-N	2	2	304.482	2.754	1	0		DFAFLP
Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)cn1	ZINC000039515488	183019075	/nfs/dbraw/zinc/01/90/75/183019075.db2.gz	AAWMCDUOGYHGBU-SFHVURJKSA-N	2	2	304.482	2.754	1	0		DFAFLP
Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)cn1	ZINC000039515488	183019078	/nfs/dbraw/zinc/01/90/78/183019078.db2.gz	AAWMCDUOGYHGBU-SFHVURJKSA-N	2	2	304.482	2.754	1	0		DFAFLP
Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)cn1	ZINC000039515488	183019082	/nfs/dbraw/zinc/01/90/82/183019082.db2.gz	AAWMCDUOGYHGBU-SFHVURJKSA-N	2	2	304.482	2.754	1	0		DFAFLP
[NH3+]CCCC[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccn1	ZINC000066076849	184387162	/nfs/dbraw/zinc/38/71/62/184387162.db2.gz	OROVXBXVHGZRDH-UHFFFAOYSA-N	2	2	309.417	2.699	1	0		DFAFLP
[NH3+]CCCC[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccn1	ZINC000066076849	184387163	/nfs/dbraw/zinc/38/71/63/184387163.db2.gz	OROVXBXVHGZRDH-UHFFFAOYSA-N	2	2	309.417	2.699	1	0		DFAFLP
C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCC[NH2+][C@@H]42)[C@@H]2CCCC[N@@H+]2C3)[NH2+]C1	ZINC000014618565	257133175	/nfs/dbraw/zinc/13/31/75/257133175.db2.gz	YUKCLPPRYNXRAF-ROMHJBHXSA-N	3	2	317.521	2.761	1	0		DFAFLP
C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCC[NH2+][C@@H]42)[C@@H]2CCCC[N@H+]2C3)[NH2+]C1	ZINC000014618565	257133176	/nfs/dbraw/zinc/13/31/76/257133176.db2.gz	YUKCLPPRYNXRAF-ROMHJBHXSA-N	3	2	317.521	2.761	1	0		DFAFLP
COc1ccc2[nH+]c(C)cc(-n3cc(C[NH+]4CCCC4)nn3)c2c1	ZINC000064499103	184298652	/nfs/dbraw/zinc/29/86/52/184298652.db2.gz	JVKQFKRSGSOJKI-UHFFFAOYSA-N	2	2	323.400	2.728	1	0		DFAFLP
c1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1	ZINC000019372337	182120874	/nfs/dbraw/zinc/12/08/74/182120874.db2.gz	BXYSWHOMANBTDE-GOSISDBHSA-N	2	2	308.429	2.850	2	0		DFAFLP
c1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1	ZINC000019372337	182120876	/nfs/dbraw/zinc/12/08/76/182120876.db2.gz	BXYSWHOMANBTDE-GOSISDBHSA-N	2	2	308.429	2.850	2	0		DFAFLP
[NH2+]=C(Nc1ccc2c(c1)N([C@@H]1CC[NH2+]C1)CC2)c1cccs1	ZINC000073312534	191303337	/nfs/dbraw/zinc/30/33/37/191303337.db2.gz	KLHSRXULOAKIFQ-CQSZACIVSA-N	2	2	312.442	2.910	1	0		DFAFLP
C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1	ZINC000013561258	181861823	/nfs/dbraw/zinc/86/18/23/181861823.db2.gz	POOPGRHMUPMLQW-CJNGLKHVSA-N	2	2	323.868	2.548	1	0		DFAFLP
C/C=C(\c1ccccc1OC[C@@H](O)C[NH2+]C(C)C)n1cc[nH+]c1	ZINC000040503498	183084616	/nfs/dbraw/zinc/08/46/16/183084616.db2.gz	IZTMSRLPYRMQTE-SNQQMIOCSA-N	2	2	315.417	2.530	1	0		DFAFLP
CN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000064503416	184298671	/nfs/dbraw/zinc/29/86/71/184298671.db2.gz	BXOBWXKRYBWTBE-UHFFFAOYSA-N	2	2	318.852	2.938	1	0		DFAFLP
C[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000064503416	184298673	/nfs/dbraw/zinc/29/86/73/184298673.db2.gz	BXOBWXKRYBWTBE-UHFFFAOYSA-N	2	2	318.852	2.938	1	0		DFAFLP
C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCC[NH2+][C@H]42)[C@H]2CCCC[N@@H+]2C3)[NH2+]C1	ZINC000059720919	257129090	/nfs/dbraw/zinc/12/90/90/257129090.db2.gz	YUKCLPPRYNXRAF-IOXPTURASA-N	3	2	317.521	2.761	1	0		DFAFLP
C1CC[C@H]([C@@]23C[C@@H](C[C@@H]4CCC[NH2+][C@H]42)[C@H]2CCCC[N@H+]2C3)[NH2+]C1	ZINC000059720919	257129091	/nfs/dbraw/zinc/12/90/91/257129091.db2.gz	YUKCLPPRYNXRAF-IOXPTURASA-N	3	2	317.521	2.761	1	0		DFAFLP
C[NH+]1CCN(c2nc(N)[nH+]c3c(-c4ccccc4)cccc23)CC1	ZINC000073220360	191294253	/nfs/dbraw/zinc/29/42/53/191294253.db2.gz	QHMVVLDLRDAYQR-UHFFFAOYSA-N	2	2	319.412	2.631	1	0		DFAFLP
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH2+]CC[NH+](C)C)O2	ZINC000022934156	182342033	/nfs/dbraw/zinc/34/20/33/182342033.db2.gz	KUROLVMGEZKCTP-GOSISDBHSA-N	2	2	306.450	2.552	1	0		DFAFLP
Cc1nc(NCc2cncc3c2CC[N@H+](CC2CC2)C3)cc[nH+]1	ZINC000096189550	257133162	/nfs/dbraw/zinc/13/31/62/257133162.db2.gz	ZBJSGCNUCWICQV-UHFFFAOYSA-N	2	2	309.417	2.560	1	0		DFAFLP
Cc1nc(NCc2cncc3c2CC[N@@H+](CC2CC2)C3)cc[nH+]1	ZINC000096189550	257133164	/nfs/dbraw/zinc/13/31/64/257133164.db2.gz	ZBJSGCNUCWICQV-UHFFFAOYSA-N	2	2	309.417	2.560	1	0		DFAFLP
C=CC(=O)NC1=CC=C2[NH+]=CNC(=[NH+]c3cccc(Cl)c3)[C@H]12	ZINC000040863150	183144653	/nfs/dbraw/zinc/14/46/53/183144653.db2.gz	RTCNGBCVMDIFBX-HNNXBMFYSA-N	2	2	312.760	2.892	1	0		DFAFLP
C1CC[N@@H+]2C[C@]34C[C@H](C[C@@H]5CCCN([C@@H]6CCC[C@H]3[NH2+]6)[C@H]54)[C@H]2C1	ZINC000095914186	560056011	/nfs/dbraw/zinc/05/60/11/560056011.db2.gz	MRLGBUWOAFGOBH-GNKITCRMSA-N	2	2	315.505	2.813	1	0	biogenic,in-vitro	DFAFLP
C1CC[N@H+]2C[C@]34C[C@H](C[C@@H]5CCCN([C@@H]6CCC[C@H]3[NH2+]6)[C@H]54)[C@H]2C1	ZINC000095914186	560056012	/nfs/dbraw/zinc/05/60/12/560056012.db2.gz	MRLGBUWOAFGOBH-GNKITCRMSA-N	2	2	315.505	2.813	1	0	biogenic,in-vitro	DFAFLP
C1CC[N@@H+]2C[C@]34C[C@H](C[C@@H]5CCC[NH+]([C@@H]6CCC[C@H]3N6)[C@H]54)[C@H]2C1	ZINC000095914186	560056013	/nfs/dbraw/zinc/05/60/13/560056013.db2.gz	MRLGBUWOAFGOBH-GNKITCRMSA-N	2	2	315.505	2.813	1	0	biogenic,in-vitro	DFAFLP
C1CC[N@H+]2C[C@]34C[C@H](C[C@@H]5CCC[NH+]([C@@H]6CCC[C@H]3N6)[C@H]54)[C@H]2C1	ZINC000095914186	560056014	/nfs/dbraw/zinc/05/60/14/560056014.db2.gz	MRLGBUWOAFGOBH-GNKITCRMSA-N	2	2	315.505	2.813	1	0	biogenic,in-vitro	DFAFLP
C1CC[NH+]2C[C@]34C[C@H](C[C@@H]5CCC[N@H+]([C@@H]6CCC[C@H]3N6)[C@H]54)[C@H]2C1	ZINC000095914186	560056015	/nfs/dbraw/zinc/05/60/15/560056015.db2.gz	MRLGBUWOAFGOBH-GNKITCRMSA-N	2	2	315.505	2.813	1	0	biogenic,in-vitro	DFAFLP
C1CC[NH+]2C[C@]34C[C@H](C[C@@H]5CCC[N@@H+]([C@@H]6CCC[C@H]3N6)[C@H]54)[C@H]2C1	ZINC000095914186	560056016	/nfs/dbraw/zinc/05/60/16/560056016.db2.gz	MRLGBUWOAFGOBH-GNKITCRMSA-N	2	2	315.505	2.813	1	0	biogenic,in-vitro	DFAFLP
Nc1[nH+]cccc1-c1nc2cccnc2n1-c1ccc(C[NH3+])cc1	ZINC000095574577	185380459	/nfs/dbraw/zinc/38/04/59/185380459.db2.gz	RGDKQPDDLFBPMH-UHFFFAOYSA-N	2	2	316.368	2.523	1	0		DFAFLP
Cc1cc(N2CCC([NH+]3CCOCC3)CC2)[nH+]c2ccccc12	ZINC000072136623	191046546	/nfs/dbraw/zinc/04/65/46/191046546.db2.gz	ACVREOIJKPFGOD-UHFFFAOYSA-N	2	2	311.429	2.844	1	0		DFAFLP
c1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1	ZINC000019372335	182121173	/nfs/dbraw/zinc/12/11/73/182121173.db2.gz	BXYSWHOMANBTDE-SFHVURJKSA-N	2	2	308.429	2.850	2	0		DFAFLP
c1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1	ZINC000019372335	182121176	/nfs/dbraw/zinc/12/11/76/182121176.db2.gz	BXYSWHOMANBTDE-SFHVURJKSA-N	2	2	308.429	2.850	2	0		DFAFLP
COc1ccc2[nH+]cc(-c3cccc(NC4CC[NH2+]CC4)n3)n2c1	ZINC000029045247	182549659	/nfs/dbraw/zinc/54/96/59/182549659.db2.gz	QTFQLQSPZXWTOC-UHFFFAOYSA-N	2	2	323.400	2.569	1	0		DFAFLP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(c1cccc[nH+]1)CC2	ZINC000096240301	274051904	/nfs/dbraw/zinc/05/19/04/274051904.db2.gz	KTKNWFLARCDSRI-MRXNPFEDSA-N	2	2	303.450	2.797	1	0		DFAFLP
COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(c1cccc[nH+]1)CC2	ZINC000096240301	274051906	/nfs/dbraw/zinc/05/19/06/274051906.db2.gz	KTKNWFLARCDSRI-MRXNPFEDSA-N	2	2	303.450	2.797	1	0		DFAFLP
CC[NH+](CC)CC(C[NH+](CC)CC)NCc1ccc(OC)cc1	ZINC000066078340	184387348	/nfs/dbraw/zinc/38/73/48/184387348.db2.gz	QPXMYWRKKKEPFJ-UHFFFAOYSA-N	2	2	321.509	2.837	1	0		DFAFLP