smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c(-c2ccc3c(c2O)[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000095486316	291081584	/nfs/dbraw/zinc/08/15/84/291081584.db2.gz	RCBMZBBWDFPGEI-VXGBXAGGSA-N	1	0	365.429	4.227	1	10	biogenic,in-vitro	FICFRO
C[NH+](C)CCCNc1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c21	ZINC000005957724	204232821	/nfs/dbraw/zinc/23/28/21/204232821.db2.gz	KDWXFOYQRQEDCC-UHFFFAOYSA-N	1	0	358.829	4.313	1	10		FICFRO
COc1cc2c(ccc3c4c(c(O)c(OC)c32)C[N@H+](C(C)C)CC4)cc1O	ZINC000039161129	205044907	/nfs/dbraw/zinc/04/49/07/205044907.db2.gz	AWJWBWOWUNPLTO-UHFFFAOYSA-N	1	0	367.445	4.188	1	10	in-vivo	FICFRO
C[N@@H+]1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000096272454	209148862	/nfs/dbraw/zinc/14/88/62/209148862.db2.gz	PNZJHNPWNQIJPQ-LJQANCHMSA-N	1	0	357.453	4.441	1	10		FICFRO
COc1cc2nc3c(cc2c(C[NH+](C)C)c1O)CSc1ccccc1-3	ZINC000043076309	208299427	/nfs/dbraw/zinc/29/94/27/208299427.db2.gz	VBGXHYJVGHFOBV-UHFFFAOYSA-N	1	0	352.459	4.283	1	10		FICFRO
COc1ccccc1-c1ccc(C[C@@H]2[NH2+]CCc3cc(O)cc(O)c32)cc1	ZINC000103219258	209249508	/nfs/dbraw/zinc/24/95/08/209249508.db2.gz	NDZMLPRIFSBDMD-FQEVSTJZSA-N	1	0	361.441	4.203	1	10		FICFRO
C/C=C/C[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1	ZINC000027850487	207943216	/nfs/dbraw/zinc/94/32/16/207943216.db2.gz	LTKPGQBANQDVDS-YATRRXNKSA-N	1	0	359.853	4.023	1	10		FICFRO
Oc1cc2c(cc1O)[C@H]1C[C@@H](c3ccc(C(F)(F)F)cc3)C[NH2+][C@@H]1CC2	ZINC000095565820	209080021	/nfs/dbraw/zinc/08/00/21/209080021.db2.gz	FDKQJEHYQUMGMK-KBRIMQKVSA-N	1	0	363.379	4.292	1	10		FICFRO
Nc1ccc(CC[N@@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1	ZINC000005161858	207084159	/nfs/dbraw/zinc/08/41/59/207084159.db2.gz	ZRCMOECJOLTRBV-QPTUXGOLSA-N	1	0	362.517	4.276	1	10		FICFRO
CCC[N@@H+]1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000040872893	208273226	/nfs/dbraw/zinc/27/32/26/208273226.db2.gz	IFMOVFFRZLWNFZ-UHFFFAOYSA-N	1	0	367.445	4.190	1	10	in-vivo	FICFRO
Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3C[NH2+][C@H]1CC2	ZINC000013762014	207486137	/nfs/dbraw/zinc/48/61/37/207486137.db2.gz	TZIQBANCPDRLOK-PXNSSMCTSA-N	1	0	355.503	4.442	1	10		FICFRO
CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccc(C(=O)OC)cc21	ZINC000005128445	210601357	/nfs/dbraw/zinc/60/13/57/210601357.db2.gz	AYJPABWQKRSOGM-UHFFFAOYSA-N	1	0	367.494	4.232	1	10		FICFRO
COc1ccccc1-c1ccc(C[C@H]2[NH2+]CCc3cc(O)cc(O)c32)cc1	ZINC000103219256	222326080	/nfs/dbraw/zinc/32/60/80/222326080.db2.gz	NDZMLPRIFSBDMD-HXUWFJFHSA-N	1	0	361.441	4.203	1	10		FICFRO
COc1ccc2[nH+]c3ccc(COC(=O)c4ccccc4)cc3c(N)c2c1	ZINC000058548810	212012499	/nfs/dbraw/zinc/01/24/99/212012499.db2.gz	RPKMXDFRSYJPDT-UHFFFAOYSA-N	1	0	358.397	4.336	1	10		FICFRO
[NH3+][C@@H](Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1)C(=O)[O-]	ZINC000005162774	219656944	/nfs/dbraw/zinc/65/69/44/219656944.db2.gz	SAFOWDFBJHHCLR-SFHVURJKSA-N	1	0	357.413	4.086	1	10		FICFRO
C[N@@H+]1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000096272452	222106968	/nfs/dbraw/zinc/10/69/68/222106968.db2.gz	IAGDALNWLBGHNU-LJQANCHMSA-N	1	0	373.452	4.146	1	10		FICFRO
Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201292	221043866	/nfs/dbraw/zinc/04/38/66/221043866.db2.gz	IGCYDMHHQHPMEJ-JOCHJYFZSA-N	1	0	354.469	4.019	1	10		FICFRO
Cn1c2ccc(O)c(C[NH+]3CCCC3)c2nc1CSc1ccc(F)cc1	ZINC000064559234	221148252	/nfs/dbraw/zinc/14/82/52/221148252.db2.gz	OSYIDCWAZBMNFM-UHFFFAOYSA-N	1	0	371.481	4.306	1	10		FICFRO
O=[N+]([O-])c1nccn1CCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000033639820	220746592	/nfs/dbraw/zinc/74/65/92/220746592.db2.gz	WNJCEJSYVNKOPE-UHFFFAOYSA-N	1	0	361.405	4.385	1	10		FICFRO
Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2	ZINC000053201290	221043300	/nfs/dbraw/zinc/04/33/00/221043300.db2.gz	IGCYDMHHQHPMEJ-QFIPXVFZSA-N	1	0	354.469	4.019	1	10		FICFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCCCC2)c1	ZINC000013762627	220093348	/nfs/dbraw/zinc/09/33/48/220093348.db2.gz	NTQYZFUEVRFWOM-WCWDXBQESA-N	1	0	359.865	4.008	1	10		FICFRO