smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCN(C(=O)c2cccc3[nH]cc(C[NH+]4CCOCC4)c32)CC1	ZINC000064526422	205299270	/nfs/dbraw/zinc/29/92/70/205299270.db2.gz	SCKIFQBBOQLHIA-UHFFFAOYSA-N	2	2	370.497	2.166	1	0		FEAFLP
C[NH2+]CC[NH+]1CCC(c2cnc3[nH]c(-c4cccnc4OC)nc3c2)CC1	ZINC000045284573	205119441	/nfs/dbraw/zinc/11/94/41/205119441.db2.gz	DAMBDOIWCIIKJF-UHFFFAOYSA-N	2	2	366.469	2.427	1	0		FEAFLP
O=C(NC[C@H]1CN(c2ccccc2)CC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000003796630	132385707	/nfs/dbraw/zinc/38/57/07/132385707.db2.gz	LRNFWXDBPHKDSW-SFHVURJKSA-N	2	2	361.449	2.081	1	0		FEAFLP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCOC[C@H]12	ZINC000028525005	581100795	/nfs/dbraw/zinc/10/07/95/581100795.db2.gz	RCVWWPSJYZKVFU-OALUTQOASA-N	2	2	353.466	2.489	1	0		FEAFLP
CCOc1ccccc1C[N@@H+]1CCc2nc(N3CC[NH+](C)CC3)ncc2C1	ZINC000034870516	208114097	/nfs/dbraw/zinc/11/40/97/208114097.db2.gz	ACQARUYWFRNNCM-UHFFFAOYSA-N	2	2	367.497	2.185	1	0		FEAFLP
CCOc1ccccc1C[N@H+]1CCc2nc(N3CC[NH+](C)CC3)ncc2C1	ZINC000034870516	208114108	/nfs/dbraw/zinc/11/41/08/208114108.db2.gz	ACQARUYWFRNNCM-UHFFFAOYSA-N	2	2	367.497	2.185	1	0		FEAFLP
[NH3+]CCC[NH2+]CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000045350700	208332139	/nfs/dbraw/zinc/33/21/39/208332139.db2.gz	MEPBJPMZEPXRJT-UHFFFAOYSA-N	2	2	354.406	2.483	1	0		FEAFLP
COc1ccc(-n2ncnn2)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1	ZINC000022938182	211372218	/nfs/dbraw/zinc/37/22/18/211372218.db2.gz	ASUKIWYLLAJHAW-ICSRJNTNSA-N	2	2	364.453	2.254	1	0		FEAFLP
[NH3+][C@H](COCc1ccc(I)cc1)Cc1c[nH+]c[nH]1	ZINC000013796547	211060521	/nfs/dbraw/zinc/06/05/21/211060521.db2.gz	YVXLGRUYYZPFBU-LBPRGKRZSA-N	2	2	357.195	2.101	1	0		FEAFLP
[NH3+][C@H](COCc1ccc(I)cc1)Cc1c[nH]c[nH+]1	ZINC000013796547	211060524	/nfs/dbraw/zinc/06/05/24/211060524.db2.gz	YVXLGRUYYZPFBU-LBPRGKRZSA-N	2	2	357.195	2.101	1	0		FEAFLP
Cc1ccc(N2N=[O+]C(=O)C2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000103197951	132236898	/nfs/dbraw/zinc/23/68/98/132236898.db2.gz	LXSNFYLXBSKJKJ-UHFFFAOYSA-O	2	2	351.430	2.288	1	0		FEAFLP
CS(=O)(=O)Nc1cc[nH+]cc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1C[NH2+]C2	ZINC000058540719	221120736	/nfs/dbraw/zinc/12/07/36/221120736.db2.gz	ORNGHPVNFVLRNV-LPMFXHHGSA-N	2	2	373.478	2.497	1	0		FEAFLP
c1cn(-c2ccc(N3CCC(OC4=CC=C[C@H]5[NH2+]C=C[C@H]45)CC3)nn2)c[nH+]1	ZINC000101310867	222268630	/nfs/dbraw/zinc/26/86/30/222268630.db2.gz	UJIMAOCGCGNVGP-DLBZAZTESA-N	2	2	362.437	2.203	1	0		FEAFLP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCOC[C@H]12	ZINC000028525004	581100784	/nfs/dbraw/zinc/10/07/84/581100784.db2.gz	RCVWWPSJYZKVFU-RBUKOAKNSA-N	2	2	353.466	2.489	1	0		FEAFLP
CC[N@H+](CCC[NH3+])Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O	ZINC000049034950	205168600	/nfs/dbraw/zinc/16/86/00/205168600.db2.gz	RUGBLIPFOVKMEL-UHFFFAOYSA-N	2	2	370.501	2.108	1	0		FEAFLP
CC[N@@H+](CCC[NH3+])Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O	ZINC000049034950	205168605	/nfs/dbraw/zinc/16/86/05/205168605.db2.gz	RUGBLIPFOVKMEL-UHFFFAOYSA-N	2	2	370.501	2.108	1	0		FEAFLP
Nc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc(N)[nH+]1	ZINC000095596750	132216029	/nfs/dbraw/zinc/21/60/29/132216029.db2.gz	YBCWQZMABMTZBT-UHFFFAOYSA-N	2	2	355.833	2.169	1	0		FEAFLP
Nc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)[nH+]c(N)n1	ZINC000095596750	132216031	/nfs/dbraw/zinc/21/60/31/132216031.db2.gz	YBCWQZMABMTZBT-UHFFFAOYSA-N	2	2	355.833	2.169	1	0		FEAFLP
Nc1[nH+]cnc2c1c(-c1ccc(Cl)c(O)c1)nn2CC1CC[NH2+]CC1	ZINC000008581945	207236600	/nfs/dbraw/zinc/23/66/00/207236600.db2.gz	WXCKXLFOEBUZDO-UHFFFAOYSA-N	2	2	358.833	2.434	1	0		FEAFLP
CC(C)CNc1nc(NCCC[NH3+])[nH+]cc1C(=O)NCCc1ccccc1	ZINC000045358320	208331396	/nfs/dbraw/zinc/33/13/96/208331396.db2.gz	YSOIZKMZIZPHNF-UHFFFAOYSA-N	2	2	370.501	2.278	1	0		FEAFLP
Nc1[nH+]cnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@@H]1CCC[NH2+]C1	ZINC000008581943	207236910	/nfs/dbraw/zinc/23/69/10/207236910.db2.gz	MVFQHVQABARLKS-SNVBAGLBSA-N	2	2	358.833	2.434	1	0		FEAFLP
COc1cc2ccccc2c(CON2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1OC	ZINC000045193128	208328018	/nfs/dbraw/zinc/32/80/18/208328018.db2.gz	VRJYVVBDPXPCGZ-UHFFFAOYSA-N	2	2	357.414	2.179	1	0		FEAFLP
CCN1C(=O)c2cccc3c(NCC[NH2+]CC[NH+](C)C)ccc(c32)C1=O	ZINC000096273417	222106947	/nfs/dbraw/zinc/10/69/47/222106947.db2.gz	UCCNPKCKOIQIAD-UHFFFAOYSA-N	2	2	354.454	2.019	1	0		FEAFLP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCOC[C@@H]12	ZINC000169352147	581100846	/nfs/dbraw/zinc/10/08/46/581100846.db2.gz	RCVWWPSJYZKVFU-RTBURBONSA-N	2	2	353.466	2.489	1	0		FEAFLP
c1cn(-c2ccc(N3CCC(OC4=CC=C[C@@H]5[NH2+]C=C[C@H]45)CC3)nn2)c[nH+]1	ZINC000101310869	222268439	/nfs/dbraw/zinc/26/84/39/222268439.db2.gz	UJIMAOCGCGNVGP-IRXDYDNUSA-N	2	2	362.437	2.203	1	0		FEAFLP
CCC[NH+]1CCN(C(=O)Cn2[nH+]cc3c4cc(C)ccc4nc-3c2O)CC1	ZINC000101789695	222284526	/nfs/dbraw/zinc/28/45/26/222284526.db2.gz	RKVHZTMAINADCT-UHFFFAOYSA-N	2	2	367.453	2.104	1	0		FEAFLP
[NH3+][C@@H](COCc1ccc(I)cc1)Cc1c[nH+]c[nH]1	ZINC000013796544	211059353	/nfs/dbraw/zinc/05/93/53/211059353.db2.gz	YVXLGRUYYZPFBU-GFCCVEGCSA-N	2	2	357.195	2.101	1	0		FEAFLP
[NH3+][C@@H](COCc1ccc(I)cc1)Cc1c[nH]c[nH+]1	ZINC000013796544	211059356	/nfs/dbraw/zinc/05/93/56/211059356.db2.gz	YVXLGRUYYZPFBU-GFCCVEGCSA-N	2	2	357.195	2.101	1	0		FEAFLP
O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000038156634	136118626	/nfs/dbraw/zinc/11/86/26/136118626.db2.gz	YQRZGAQHXYANNE-FCHUYYIVSA-N	2	2	351.494	2.444	1	0		FEAFLP
O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000038156634	136118627	/nfs/dbraw/zinc/11/86/27/136118627.db2.gz	YQRZGAQHXYANNE-FCHUYYIVSA-N	2	2	351.494	2.444	1	0		FEAFLP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCOC[C@@H]12	ZINC000169352149	581100961	/nfs/dbraw/zinc/10/09/61/581100961.db2.gz	RCVWWPSJYZKVFU-MOPGFXCFSA-N	2	2	353.466	2.489	1	0		FEAFLP
c1cn(-c2ccc(N3CCC(OC4=CC=C[C@H]5[NH2+]C=C[C@@H]45)CC3)nn2)c[nH+]1	ZINC000101310872	222268560	/nfs/dbraw/zinc/26/85/60/222268560.db2.gz	UJIMAOCGCGNVGP-IAGOWNOFSA-N	2	2	362.437	2.203	1	0		FEAFLP
O[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000058558562	136131967	/nfs/dbraw/zinc/13/19/67/136131967.db2.gz	YQRZGAQHXYANNE-VXKWHMMOSA-N	2	2	351.494	2.444	1	0		FEAFLP
O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000058558562	136131968	/nfs/dbraw/zinc/13/19/68/136131968.db2.gz	YQRZGAQHXYANNE-VXKWHMMOSA-N	2	2	351.494	2.444	1	0		FEAFLP