smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCCC[C@@H]12	ZINC000169350240	206253564	/nfs/dbraw/zinc/25/35/64/206253564.db2.gz	TYJSHDWVKFXKBY-UXHICEINSA-N	2	1	351.494	3.643	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCCC[C@@H]12	ZINC000169350240	206253570	/nfs/dbraw/zinc/25/35/70/206253570.db2.gz	TYJSHDWVKFXKBY-UXHICEINSA-N	2	1	351.494	3.643	1	0		FHAFMP
C[C@H]1[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@H+]1C	ZINC000095912001	291078569	/nfs/dbraw/zinc/07/85/69/291078569.db2.gz	LDSAFYKZSKWMNQ-SRLNFEISSA-N	2	1	372.597	3.780	1	0	biogenic,in-vitro	FHAFMP
C[NH+]1CCN(CCCNc2c3ccccc3[nH+]c3c2CCCCC3)CC1	ZINC000022930430	204791875	/nfs/dbraw/zinc/79/18/75/204791875.db2.gz	CGXWJDRFKHUDIK-UHFFFAOYSA-N	2	1	352.526	3.553	1	0		FHAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](c3cc(C)ccc3C)C[N@@H+]1CC2	ZINC000045368335	205120834	/nfs/dbraw/zinc/12/08/34/205120834.db2.gz	ABNNSLREZPBYPJ-HKBOAZHASA-N	2	1	366.505	3.735	1	0		FHAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](c3cc(C)ccc3C)C[N@H+]1CC2	ZINC000045368335	205120839	/nfs/dbraw/zinc/12/08/39/205120839.db2.gz	ABNNSLREZPBYPJ-HKBOAZHASA-N	2	1	366.505	3.735	1	0		FHAFMP
OCCCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@H](C[NH+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333634	206251895	/nfs/dbraw/zinc/25/18/95/206251895.db2.gz	ITSRLYKHJPKWRD-NMIHRBCNSA-N	2	1	360.517	3.663	1	0		FHAFMP
OCCCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@H](C[N@@H+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333634	206251900	/nfs/dbraw/zinc/25/19/00/206251900.db2.gz	ITSRLYKHJPKWRD-NMIHRBCNSA-N	2	1	360.517	3.663	1	0		FHAFMP
OCCCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@H](C[N@H+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333634	206251905	/nfs/dbraw/zinc/25/19/05/206251905.db2.gz	ITSRLYKHJPKWRD-NMIHRBCNSA-N	2	1	360.517	3.663	1	0		FHAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cc(C)ccc3C)C[N@@H+]1CC2	ZINC000045368338	205122025	/nfs/dbraw/zinc/12/20/25/205122025.db2.gz	ABNNSLREZPBYPJ-NJYVYQBISA-N	2	1	366.505	3.735	1	0		FHAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cc(C)ccc3C)C[N@H+]1CC2	ZINC000045368338	205122031	/nfs/dbraw/zinc/12/20/31/205122031.db2.gz	ABNNSLREZPBYPJ-NJYVYQBISA-N	2	1	366.505	3.735	1	0		FHAFMP
CC(C)[C@H](c1ccccn1)[N@@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066078203	205361999	/nfs/dbraw/zinc/36/19/99/205361999.db2.gz	VTRPJUPDZLHKFJ-OAQYLSRUSA-N	2	1	351.498	3.896	1	0		FHAFMP
CCc1cccc([C@H]2C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2[NH3+])c1	ZINC000038345434	205040714	/nfs/dbraw/zinc/04/07/14/205040714.db2.gz	ZJBDICRKAFUJEV-NJYVYQBISA-N	2	1	366.505	3.680	1	0		FHAFMP
CCc1cccc([C@H]2C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2[NH3+])c1	ZINC000038345434	205040718	/nfs/dbraw/zinc/04/07/18/205040718.db2.gz	ZJBDICRKAFUJEV-NJYVYQBISA-N	2	1	366.505	3.680	1	0		FHAFMP
CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)N[C@@H](C)[N@H+]2CCCC[C@@H]21)C(C)C	ZINC000034079782	208102542	/nfs/dbraw/zinc/10/25/42/208102542.db2.gz	FEKYBEXKIPSLIU-LSWJPFSZSA-N	2	1	371.569	3.764	1	0		FHAFMP
CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)N[C@@H](C)[N@@H+]2CCCC[C@@H]21)C(C)C	ZINC000034079782	208102544	/nfs/dbraw/zinc/10/25/44/208102544.db2.gz	FEKYBEXKIPSLIU-LSWJPFSZSA-N	2	1	371.569	3.764	1	0		FHAFMP
COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC4)ccc32)cc1	ZINC000028818066	207975161	/nfs/dbraw/zinc/97/51/61/207975161.db2.gz	ZOQAPWIJYCXCQM-QHCPKHFHSA-N	2	1	366.505	3.747	1	0		FHAFMP
C[NH2+]CCCC[N@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	ZINC000038459316	208203733	/nfs/dbraw/zinc/20/37/33/208203733.db2.gz	NFSWESOWDXVPBY-FQEVSTJZSA-N	2	1	363.509	3.837	1	0		FHAFMP
C[NH2+]CCCC[N@@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	ZINC000038459316	208203735	/nfs/dbraw/zinc/20/37/35/208203735.db2.gz	NFSWESOWDXVPBY-FQEVSTJZSA-N	2	1	363.509	3.837	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCC[C@@H]12	ZINC000169350238	581100900	/nfs/dbraw/zinc/10/09/00/581100900.db2.gz	TYJSHDWVKFXKBY-WOJBJXKFSA-N	2	1	351.494	3.643	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCCC[C@@H]12	ZINC000169350238	581100902	/nfs/dbraw/zinc/10/09/02/581100902.db2.gz	TYJSHDWVKFXKBY-WOJBJXKFSA-N	2	1	351.494	3.643	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@H]12	ZINC000028524106	581100787	/nfs/dbraw/zinc/10/07/87/581100787.db2.gz	TYJSHDWVKFXKBY-PMACEKPBSA-N	2	1	351.494	3.643	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@H]2CCCC[C@H]12	ZINC000028524106	581100789	/nfs/dbraw/zinc/10/07/89/581100789.db2.gz	TYJSHDWVKFXKBY-PMACEKPBSA-N	2	1	351.494	3.643	1	0		FHAFMP
C[N@@H+]1Cc2c(NC(=O)CN3CCCCC3)cccc2[C@H](c2ccccc2)C1	ZINC000040505774	208254269	/nfs/dbraw/zinc/25/42/69/208254269.db2.gz	XBYQSNVYDGQAQP-FQEVSTJZSA-N	2	1	363.505	3.688	1	0		FHAFMP
C[N@H+]1Cc2c(NC(=O)C[NH+]3CCCCC3)cccc2[C@H](c2ccccc2)C1	ZINC000040505774	208254275	/nfs/dbraw/zinc/25/42/75/208254275.db2.gz	XBYQSNVYDGQAQP-FQEVSTJZSA-N	2	1	363.505	3.688	1	0		FHAFMP
C[C@@H]([NH2+]CC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000141873125	209378738	/nfs/dbraw/zinc/37/87/38/209378738.db2.gz	DSYATMXSWLOIRO-RGEHTICMSA-N	2	1	362.602	3.943	1	0		FHAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(CF)c3)C[N@@H+]1CC2	ZINC000006733239	207158586	/nfs/dbraw/zinc/15/85/86/207158586.db2.gz	OQMKJZHTWPQABR-AQNXPRMDSA-N	2	1	370.468	3.587	1	0		FHAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(CF)c3)C[N@H+]1CC2	ZINC000006733239	207158591	/nfs/dbraw/zinc/15/85/91/207158591.db2.gz	OQMKJZHTWPQABR-AQNXPRMDSA-N	2	1	370.468	3.587	1	0		FHAFMP
CCOc1ccc2nc(C[NH+]3CCC([C@H]4CC[N@@H+](C)C4)CC3)ccc2c1	ZINC000011753461	207320824	/nfs/dbraw/zinc/32/08/24/207320824.db2.gz	FZHIVUHKIQRKPM-IBGZPJMESA-N	2	1	353.510	3.797	1	0		FHAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(COc2cccc3ccccc32)c1	ZINC000005835968	581092237	/nfs/dbraw/zinc/09/22/37/581092237.db2.gz	JHWDJVFPABOYEB-UHFFFAOYSA-N	2	1	373.460	3.604	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCC[C@H]12	ZINC000028524105	581100931	/nfs/dbraw/zinc/10/09/31/581100931.db2.gz	TYJSHDWVKFXKBY-VQTJNVASSA-N	2	1	351.494	3.643	1	0		FHAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=[NH+][C@@H]2CCCC[C@H]12	ZINC000028524105	581100933	/nfs/dbraw/zinc/10/09/33/581100933.db2.gz	TYJSHDWVKFXKBY-VQTJNVASSA-N	2	1	351.494	3.643	1	0		FHAFMP
CC(C)[C@@H](c1ccccn1)[N@@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066078202	221239920	/nfs/dbraw/zinc/23/99/20/221239920.db2.gz	VTRPJUPDZLHKFJ-NRFANRHFSA-N	2	1	351.498	3.896	1	0		FHAFMP
[NH3+]CCCC[N@@H+](C[C@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc21	ZINC000103242147	222328193	/nfs/dbraw/zinc/32/81/93/222328193.db2.gz	KRKPKZOTZGHYAF-IRLDBZIGSA-N	2	1	364.537	3.927	1	0		FHAFMP
[NH3+]CC[NH2+]CCCCCCn1c(-c2ccc(O)cc2)cc2cc(O)ccc21	ZINC000029406203	220604886	/nfs/dbraw/zinc/60/48/86/220604886.db2.gz	QWIRUJIAQRWHRG-UHFFFAOYSA-N	2	1	367.493	3.828	1	0		FHAFMP
[NH3+]CCCCC[N@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000049072066	221019069	/nfs/dbraw/zinc/01/90/69/221019069.db2.gz	VPWALYHGDSWLPU-HXUWFJFHSA-N	2	1	363.509	3.967	1	0		FHAFMP
[NH3+]CCCCC[N@@H+](Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000049072066	221019073	/nfs/dbraw/zinc/01/90/73/221019073.db2.gz	VPWALYHGDSWLPU-HXUWFJFHSA-N	2	1	363.509	3.967	1	0		FHAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(SCc2ccc(Cl)cc2)c1	ZINC000013740737	581092211	/nfs/dbraw/zinc/09/22/11/581092211.db2.gz	GSCGWLDPDDBRPJ-UHFFFAOYSA-N	2	1	373.913	3.818	1	0		FHAFMP
[NH3+]CCCC[N@@H+](C[C@@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc21	ZINC000103242145	222327369	/nfs/dbraw/zinc/32/73/69/222327369.db2.gz	KRKPKZOTZGHYAF-UNMCSNQZSA-N	2	1	364.537	3.927	1	0		FHAFMP
C[C@@H](c1ccccn1)[N@@H+](CCCC[NH3+])Cc1ncccc1C(F)(F)F	ZINC000066077630	221240479	/nfs/dbraw/zinc/24/04/79/221240479.db2.gz	NXOVWJQOIFZYII-AWEZNQCLSA-N	2	1	352.404	3.798	1	0		FHAFMP
C[N@@H+]1CCN2c3ccc(Cl)cc3C(c3ccc(Cl)cc3)=[NH+]C[C@@H]2C1	ZINC000040743404	136120533	/nfs/dbraw/zinc/12/05/33/136120533.db2.gz	ABTZEFCQMBPXON-MRXNPFEDSA-N	2	1	360.288	3.965	1	0		FHAFMP
C[N@H+]1CCN2c3ccc(Cl)cc3C(c3ccc(Cl)cc3)=[NH+]C[C@@H]2C1	ZINC000040743404	136120534	/nfs/dbraw/zinc/12/05/34/136120534.db2.gz	ABTZEFCQMBPXON-MRXNPFEDSA-N	2	1	360.288	3.965	1	0		FHAFMP