smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccccc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1	ZINC000058581081	205277450	/nfs/dbraw/zinc/27/74/50/205277450.db2.gz	KXGLHDWZJMCBPY-VOTSOKGWSA-N	0	1	364.228	4.003	1	10		FICFMN
COc1cc(O)c(-c2ccc3c(c2[O-])[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000095486316	291081585	/nfs/dbraw/zinc/08/15/85/291081585.db2.gz	RCBMZBBWDFPGEI-VXGBXAGGSA-N	0	1	365.429	4.227	1	10	biogenic,in-vitro	FICFMN
COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(C(C)C)CC4)cc1O	ZINC000039161129	205044916	/nfs/dbraw/zinc/04/49/16/205044916.db2.gz	AWJWBWOWUNPLTO-UHFFFAOYSA-N	0	1	367.445	4.188	1	10	in-vivo	FICFMN
CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000096272454	209148871	/nfs/dbraw/zinc/14/88/71/209148871.db2.gz	PNZJHNPWNQIJPQ-LJQANCHMSA-N	0	1	357.453	4.441	1	10		FICFMN
COc1cc2nc3c(cc2c(C[NH+](C)C)c1[O-])CSc1ccccc1-3	ZINC000043076309	208299432	/nfs/dbraw/zinc/29/94/32/208299432.db2.gz	VBGXHYJVGHFOBV-UHFFFAOYSA-N	0	1	352.459	4.283	1	10		FICFMN
COc1cc([O-])c([C@@H]2CCCC[N@H+]2C)c2oc(-c3ccccc3)cc(=O)c12	ZINC000005922310	207123232	/nfs/dbraw/zinc/12/32/32/207123232.db2.gz	XLJBNMLKEZOFPM-HNNXBMFYSA-N	0	1	365.429	4.331	1	10		FICFMN
CC(C)Oc1ccc(-c2cc(O)c3c(=O)c(O)c(OC(C)C)cc-3o2)cc1	ZINC000103207992	209248377	/nfs/dbraw/zinc/24/83/77/209248377.db2.gz	OZLAQEFGBIKBQU-UHFFFAOYSA-N	0	1	370.401	4.446	1	10		FICFMN
CC(C)=CCc1cc2c3oc4cc(O)c(O)cc4c3c(=O)oc2cc1O	ZINC000043021437	208301056	/nfs/dbraw/zinc/30/10/56/208301056.db2.gz	QQFZXERRGYMNKV-UHFFFAOYSA-N	0	1	352.342	4.318	1	10		FICFMN
COc1c2c(=O)cc(-c3ccccc3)oc2cc([O-])c1[C@@H]1CCCC[N@H+]1C	ZINC000069482464	291081532	/nfs/dbraw/zinc/08/15/32/291081532.db2.gz	RKSINLCJJKCDFI-HNNXBMFYSA-N	0	1	365.429	4.331	1	10	biogenic,in-vitro	FICFMN
CON=C1NC(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1	ZINC000000602044	210251879	/nfs/dbraw/zinc/25/18/79/210251879.db2.gz	ZJFXWSPUWDWLPL-UVTDQMKNSA-N	0	1	362.495	4.109	1	10		FICFMN
COc1cc([O-])c([C@H]2CCCC[N@H+]2C)c2oc(-c3ccccc3)cc(=O)c12	ZINC000001653934	210179528	/nfs/dbraw/zinc/17/95/28/210179528.db2.gz	XLJBNMLKEZOFPM-OAHLLOKOSA-N	0	1	365.429	4.331	1	10		FICFMN
C[N@H+]1CCCC[C@H]1c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000015114137	211122995	/nfs/dbraw/zinc/12/29/95/211122995.db2.gz	BBZGOLNDVQZCIH-AWEZNQCLSA-N	0	1	351.402	4.028	1	10	in-vitro	FICFMN
C[N@H+]1CCCC[C@@H]1c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000015114135	210182319	/nfs/dbraw/zinc/18/23/19/210182319.db2.gz	BBZGOLNDVQZCIH-CQSZACIVSA-N	0	1	351.402	4.028	1	10	in-vitro	FICFMN
CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000096272452	222106973	/nfs/dbraw/zinc/10/69/73/222106973.db2.gz	IAGDALNWLBGHNU-LJQANCHMSA-N	0	1	373.452	4.146	1	10		FICFMN
Cn1c2ccc([O-])c(C[NH+]3CCCC3)c2nc1CSc1ccc(F)cc1	ZINC000064559234	221148255	/nfs/dbraw/zinc/14/82/55/221148255.db2.gz	OSYIDCWAZBMNFM-UHFFFAOYSA-N	0	1	371.481	4.306	1	10		FICFMN
CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(C)C(=O)c1c(O)cc(O)cc1C2=O	ZINC000015120529	560228603	/nfs/dbraw/zinc/22/86/03/560228603.db2.gz	QTORDDSSLVGNHO-BGTMZHHNSA-N	0	1	356.418	4.087	1	10	in-vitro	FICFMN
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCCCC2)c1	ZINC000013762627	220093350	/nfs/dbraw/zinc/09/33/50/220093350.db2.gz	NTQYZFUEVRFWOM-WCWDXBQESA-N	0	1	359.865	4.008	1	10		FICFMN