smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@H]3CCCC[N@@H+]3[C@@H]2C1	ZINC000033830747	291266790	/nfs/dbraw/zinc/26/67/90/291266790.db2.gz	USNBCAPIYYPNGO-FUHIMQAGSA-N	1	1	423.509	4.321	1	0	biogenic,in-vitro	HIAFMO
COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@H]3CCCC[N@H+]3[C@@H]2C1	ZINC000033830747	291266791	/nfs/dbraw/zinc/26/67/91/291266791.db2.gz	USNBCAPIYYPNGO-FUHIMQAGSA-N	1	1	423.509	4.321	1	0	biogenic,in-vitro	HIAFMO
C[N@@H+](CCc1ccccc1)Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1	ZINC000028113121	581093622	/nfs/dbraw/zinc/09/36/22/581093622.db2.gz	UONUIBHLDKGDTL-UHFFFAOYSA-N	1	1	424.508	4.308	1	0		HIAFMO
Cc1[nH]nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cnc5ccccc5c4)c3)cc12	ZINC000014957858	581091671	/nfs/dbraw/zinc/09/16/71/581091671.db2.gz	NRBLWRZCVUTONX-NRFANRHFSA-N	1	1	409.493	4.430	1	0		HIAFMO
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000013644896	581099544	/nfs/dbraw/zinc/09/95/44/581099544.db2.gz	WHNWGLBSXQAFNX-ICSRJNTNSA-N	1	1	420.561	4.298	1	0		HIAFMO
Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[NH+](C)CC3)cc2n2cncc12	ZINC000013860324	581092795	/nfs/dbraw/zinc/09/27/95/581092795.db2.gz	DKECGYMSIZVLSZ-UHFFFAOYSA-N	1	1	406.921	4.340	1	0		HIAFMO
O=c1[nH]c2cccc(N3CC[NH+](Cc4cc(-c5ccccc5)ccc4F)CC3)c2o1	ZINC000026398493	132489361	/nfs/dbraw/zinc/48/93/61/132489361.db2.gz	YTLARIHDMMQLCL-UHFFFAOYSA-N	1	1	403.457	4.249	1	0		HIAFMO
CCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000028964151	581094328	/nfs/dbraw/zinc/09/43/28/581094328.db2.gz	JNTZATOMFKWPTP-VWLOTQADSA-N	1	1	407.602	4.174	1	0		HIAFMO
COc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc(Br)c2ccccc21	ZINC000013862862	581096142	/nfs/dbraw/zinc/09/61/42/581096142.db2.gz	JBWREVQKLWMQCO-AWEZNQCLSA-N	1	1	417.347	4.358	1	0		HIAFMO
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000058575930	581099562	/nfs/dbraw/zinc/09/95/62/581099562.db2.gz	WHNWGLBSXQAFNX-AZUAARDMSA-N	1	1	420.561	4.298	1	0		HIAFMO
Clc1ccc2c(c1)nc(N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)c1cccn12	ZINC000001540239	132246960	/nfs/dbraw/zinc/24/69/60/132246960.db2.gz	KDCOAGQKBBVYDB-UHFFFAOYSA-N	1	1	420.900	4.192	1	0		HIAFMO
CCC[N@@H+](CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2cccc(C(N)=O)c2C1	ZINC000006745520	560206362	/nfs/dbraw/zinc/20/63/62/560206362.db2.gz	FTFDKAXJKYPQQO-SFHVURJKSA-N	1	1	409.505	4.054	1	0	in-vitro	HIAFMO
CCCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000028476702	132492983	/nfs/dbraw/zinc/49/29/83/132492983.db2.gz	ARKDZCCIVLHVRD-RUZDIDTESA-N	1	1	407.602	4.174	1	0		HIAFMO
CCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000028964145	581094294	/nfs/dbraw/zinc/09/42/94/581094294.db2.gz	JNTZATOMFKWPTP-RUZDIDTESA-N	1	1	407.602	4.174	1	0		HIAFMO
COc1c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCC2)cc(Br)c2ccccc21	ZINC000013862873	581096112	/nfs/dbraw/zinc/09/61/12/581096112.db2.gz	AFSSAOBKLVREBP-HNNXBMFYSA-N	1	1	417.347	4.358	1	0		HIAFMO
O=S(=O)(c1c2cc(Cl)ccc2[nH]c1C1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccccc1	ZINC000006581582	581102287	/nfs/dbraw/zinc/10/22/87/581102287.db2.gz	UAYFIOZDCOFZEF-ROUUACIJSA-N	1	1	413.930	4.315	1	0		HIAFMO
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000013644900	581099533	/nfs/dbraw/zinc/09/95/33/581099533.db2.gz	WHNWGLBSXQAFNX-QUCCMNQESA-N	1	1	420.561	4.298	1	0		HIAFMO
COc1ccc(C2=C[N@@H+]3CCC[C@H]3C=C2c2cc(O)c(OC)c(OC)c2)cc1OC	ZINC000073292548	291266324	/nfs/dbraw/zinc/26/63/24/291266324.db2.gz	ZFICSRNQVIMLDY-KRWDZBQOSA-N	1	1	409.482	4.329	1	0	biogenic,in-vitro	HIAFMO
COc1ccc(C2=C[N@H+]3CCC[C@H]3C=C2c2cc(O)c(OC)c(OC)c2)cc1OC	ZINC000073292548	291266326	/nfs/dbraw/zinc/26/63/26/291266326.db2.gz	ZFICSRNQVIMLDY-KRWDZBQOSA-N	1	1	409.482	4.329	1	0	biogenic,in-vitro	HIAFMO