smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2[nH]c([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@H+]4C)[nH+]c2cc1C	ZINC000072106444	205303563	/nfs/dbraw/zinc/30/35/63/205303563.db2.gz	ZONWPEAFLDQJPL-KKXYHZGYSA-N	2	2	379.935	5.567	1	0		GKAFLP
Cc1cc2[nH]c([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@@H+]4C)[nH+]c2cc1C	ZINC000072106444	205303567	/nfs/dbraw/zinc/30/35/67/205303567.db2.gz	ZONWPEAFLDQJPL-KKXYHZGYSA-N	2	2	379.935	5.567	1	0		GKAFLP
[NH3+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1	ZINC000022941543	207267041	/nfs/dbraw/zinc/26/70/41/207267041.db2.gz	GAEAFMJGLPCGOT-VXKWHMMOSA-N	2	2	396.456	5.569	1	0		GKAFLP
[NH3+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1	ZINC000022941543	207267043	/nfs/dbraw/zinc/26/70/43/207267043.db2.gz	GAEAFMJGLPCGOT-VXKWHMMOSA-N	2	2	396.456	5.569	1	0		GKAFLP
Fc1ccc2c(c1)Sc1c[nH+]c3ccccc3c1N2CC[NH+]1CCCCC1	ZINC000098082845	136188828	/nfs/dbraw/zinc/18/88/28/136188828.db2.gz	MSZCESMNLIFVNY-UHFFFAOYSA-N	2	2	379.504	5.463	1	0		GKAFLP
c1ccc(C[NH2+][C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1	ZINC000035975479	209246573	/nfs/dbraw/zinc/24/65/73/209246573.db2.gz	SVHVLAGNGAWUQU-SVBPBHIXSA-N	2	2	382.551	5.071	1	0		GKAFLP
Fc1ccc(C[NH2+][C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1F	ZINC000038322609	205036499	/nfs/dbraw/zinc/03/64/99/205036499.db2.gz	GHIZPTDJZASTHJ-ZJSXRUAMSA-N	2	2	392.493	5.007	1	0		GKAFLP
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@@H+]5CCC[C@@H]5C[NH3+])c4)cc3)nc21	ZINC000045188632	205092598	/nfs/dbraw/zinc/09/25/98/205092598.db2.gz	PPOAXIKBTDFKPJ-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@H+]5CCC[C@@H]5C[NH3+])c4)cc3)nc21	ZINC000045188632	205092603	/nfs/dbraw/zinc/09/26/03/205092603.db2.gz	PPOAXIKBTDFKPJ-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3ccc(-c4cccc(C[N@@H+]5CCC[C@@H]5C[NH3+])c4)cc3)[nH]c21	ZINC000045188632	205092606	/nfs/dbraw/zinc/09/26/06/205092606.db2.gz	PPOAXIKBTDFKPJ-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3ccc(-c4cccc(C[N@H+]5CCC[C@@H]5C[NH3+])c4)cc3)[nH]c21	ZINC000045188632	205092610	/nfs/dbraw/zinc/09/26/10/205092610.db2.gz	PPOAXIKBTDFKPJ-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
CCCCCn1c2ccccc2[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1	ZINC000029565761	207365141	/nfs/dbraw/zinc/36/51/41/207365141.db2.gz	RSZPIEKCDADZPS-UHFFFAOYSA-N	2	2	390.575	5.346	1	0		GKAFLP
CCCC[NH+]1CCN(C2=[NH+]c3ccc(CC)cc3CC=C2c2ccccc2)CC1	ZINC000101170972	208387904	/nfs/dbraw/zinc/38/79/04/208387904.db2.gz	UTHZCGKMDYEQRG-UHFFFAOYSA-N	2	2	387.571	5.336	1	0		GKAFLP
Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[N@@H+]5CCC[C@@H]5C[NH3+])cc4)c3)nc21	ZINC000045167090	205093166	/nfs/dbraw/zinc/09/31/66/205093166.db2.gz	NVSSXLMIYICOHL-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[N@H+]5CCC[C@@H]5C[NH3+])cc4)c3)nc21	ZINC000045167090	205093172	/nfs/dbraw/zinc/09/31/72/205093172.db2.gz	NVSSXLMIYICOHL-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3cccc(-c4ccc(C[N@@H+]5CCC[C@@H]5C[NH3+])cc4)c3)[nH]c21	ZINC000045167090	205093176	/nfs/dbraw/zinc/09/31/76/205093176.db2.gz	NVSSXLMIYICOHL-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3cccc(-c4ccc(C[N@H+]5CCC[C@@H]5C[NH3+])cc4)c3)[nH]c21	ZINC000045167090	205093181	/nfs/dbraw/zinc/09/31/81/205093181.db2.gz	NVSSXLMIYICOHL-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
[NH3+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1	ZINC000022941546	207267657	/nfs/dbraw/zinc/26/76/57/207267657.db2.gz	GAEAFMJGLPCGOT-FGZHOGPDSA-N	2	2	396.456	5.569	1	0		GKAFLP
[NH3+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1	ZINC000022941546	207267661	/nfs/dbraw/zinc/26/76/61/207267661.db2.gz	GAEAFMJGLPCGOT-FGZHOGPDSA-N	2	2	396.456	5.569	1	0		GKAFLP
Clc1ccc(CC[N@H+](CC2CC2)[C@@H]2CCCC[C@@H]2[NH+]2CCCC2)cc1Cl	ZINC000038349235	205035339	/nfs/dbraw/zinc/03/53/39/205035339.db2.gz	KUFHVKLXHYGCLV-FCHUYYIVSA-N	2	2	395.418	5.655	1	0		GKAFLP
Clc1ccc(CC[N@@H+](CC2CC2)[C@@H]2CCCC[C@@H]2[NH+]2CCCC2)cc1Cl	ZINC000038349235	205035341	/nfs/dbraw/zinc/03/53/41/205035341.db2.gz	KUFHVKLXHYGCLV-FCHUYYIVSA-N	2	2	395.418	5.655	1	0		GKAFLP
COc1ccc(CNc2[nH+]ccc3ccc(-c4ccc5[nH+]ccn5c4)cc32)cc1	ZINC000045322641	205096068	/nfs/dbraw/zinc/09/60/68/205096068.db2.gz	MGFJJWBOXZZYAK-UHFFFAOYSA-N	2	2	380.451	5.170	1	0		GKAFLP
CCCCC[NH2+][C@@H](c1ccc(O)cc1)[C@@H]([NH2+]CCCCC)c1ccc(O)cc1	ZINC000027898210	207332540	/nfs/dbraw/zinc/33/25/40/207332540.db2.gz	JIYQXVYONOXOKH-ZEQRLZLVSA-N	2	2	384.564	5.440	1	0		GKAFLP
CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cc(C)ccc3[nH+]2)cc1	ZINC000013819541	221290484	/nfs/dbraw/zinc/29/04/84/221290484.db2.gz	HMUXEUXSOFSFTD-UHFFFAOYSA-N	2	2	393.575	5.981	1	0		GKAFLP
Cc1ccc2c(c1)Sc1c[nH+]c3ccccc3c1N2CC[NH+]1CCCCC1	ZINC000098082846	136188856	/nfs/dbraw/zinc/18/88/56/136188856.db2.gz	ILTSYHDAMRJNGJ-UHFFFAOYSA-N	2	2	375.541	5.632	1	0		GKAFLP
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@@H+]5CCC[C@H]5C[NH3+])c4)cc3)nc21	ZINC000045188635	205093104	/nfs/dbraw/zinc/09/31/04/205093104.db2.gz	PPOAXIKBTDFKPJ-QHCPKHFHSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[N@H+]5CCC[C@H]5C[NH3+])c4)cc3)nc21	ZINC000045188635	205093109	/nfs/dbraw/zinc/09/31/09/205093109.db2.gz	PPOAXIKBTDFKPJ-QHCPKHFHSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3ccc(-c4cccc(C[N@@H+]5CCC[C@H]5C[NH3+])c4)cc3)[nH]c21	ZINC000045188635	205093113	/nfs/dbraw/zinc/09/31/13/205093113.db2.gz	PPOAXIKBTDFKPJ-QHCPKHFHSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3ccc(-c4cccc(C[N@H+]5CCC[C@H]5C[NH3+])c4)cc3)[nH]c21	ZINC000045188635	205093118	/nfs/dbraw/zinc/09/31/18/205093118.db2.gz	PPOAXIKBTDFKPJ-QHCPKHFHSA-N	2	2	396.538	5.128	1	0		GKAFLP
C[C@@H]([C@H](c1ccc2cc(OCc3ccccc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C	ZINC000028344604	207340196	/nfs/dbraw/zinc/34/01/96/207340196.db2.gz	XNPARDFAECDMGN-UQBPGWFLSA-N	2	2	385.511	5.155	1	0		GKAFLP
CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1	ZINC000001532956	209332305	/nfs/dbraw/zinc/33/23/05/209332305.db2.gz	CQWPZSWNLBUMFT-UHFFFAOYSA-N	2	2	393.575	5.981	1	0		GKAFLP
CCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]([NH2+]CCCC)c1ccc(OC)cc1	ZINC000027897142	207332413	/nfs/dbraw/zinc/33/24/13/207332413.db2.gz	SOXOSPJHYCOVSJ-PSWAGMNNSA-N	2	2	384.564	5.266	1	0		GKAFLP
C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccccc2)CC1	ZINC000027527138	207326096	/nfs/dbraw/zinc/32/60/96/207326096.db2.gz	UGINOMBYYXAJGN-UHFFFAOYSA-N	2	2	394.584	5.049	1	0		GKAFLP
CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000101061065	208385623	/nfs/dbraw/zinc/38/56/23/208385623.db2.gz	YGVRYGYKGFIQTL-NUNAXRQHSA-N	2	2	384.514	5.439	1	0		GKAFLP
CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000101061065	208385627	/nfs/dbraw/zinc/38/56/27/208385627.db2.gz	YGVRYGYKGFIQTL-NUNAXRQHSA-N	2	2	384.514	5.439	1	0		GKAFLP
Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[N@@H+]5CCC[C@@H]([NH3+])C5)cc4)cc3)nc21	ZINC000045189817	205092755	/nfs/dbraw/zinc/09/27/55/205092755.db2.gz	YFXCRNZTDJKZGO-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[N@H+]5CCC[C@@H]([NH3+])C5)cc4)cc3)nc21	ZINC000045189817	205092758	/nfs/dbraw/zinc/09/27/58/205092758.db2.gz	YFXCRNZTDJKZGO-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3ccc(-c4ccc(C[N@@H+]5CCC[C@@H]([NH3+])C5)cc4)cc3)[nH]c21	ZINC000045189817	205092763	/nfs/dbraw/zinc/09/27/63/205092763.db2.gz	YFXCRNZTDJKZGO-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Cc1cccc2nc(-c3ccc(-c4ccc(C[N@H+]5CCC[C@@H]([NH3+])C5)cc4)cc3)[nH]c21	ZINC000045189817	205092768	/nfs/dbraw/zinc/09/27/68/205092768.db2.gz	YFXCRNZTDJKZGO-HSZRJFAPSA-N	2	2	396.538	5.128	1	0		GKAFLP
Clc1ccc2c(NCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1	ZINC000026257937	207312123	/nfs/dbraw/zinc/31/21/23/207312123.db2.gz	QOILDLCYEKYVRJ-UHFFFAOYSA-N	2	2	397.309	6.004	1	0		GKAFLP