smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)c1cc(-c2ccc([O-])cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000096939866	209164274	/nfs/dbraw/zinc/16/42/74/209164274.db2.gz	BKHSYEHNWMBVPY-UHFFFAOYSA-N	-1	1	369.333	3.497	1	5		FGBFMM
O=C1O[C@@](O)(c2ccc([O-])c(Cl)c2)c2ccc([N+](=O)[O-])c3cccc1c32	ZINC000006567588	581098091	/nfs/dbraw/zinc/09/80/91/581098091.db2.gz	WYNHKJNPYFAGID-SFHVURJKSA-N	-1	1	371.732	3.471	1	5		FGBFMM
CCCCCOCc1[n-]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)OCC	ZINC000169308228	206248510	/nfs/dbraw/zinc/24/85/10/206248510.db2.gz	CHIHBHXHPRVOHC-UHFFFAOYSA-N	-1	1	362.382	3.320	1	5		FGBFMM
COc1c(=O)c(CC=C(C)C)c([O-])c2c(O)c3cccc(O)c3n(C)c1-2	ZINC000014762490	220132610	/nfs/dbraw/zinc/13/26/10/220132610.db2.gz	GKBPFZFFEMNSRA-UHFFFAOYSA-N	-1	1	355.390	3.326	1	5		FGBFMM
COc1c(O)c2oc3cc([O-])cc(O)c3c(=O)c2c(O)c1CC=C(C)C	ZINC000036423710	291069651	/nfs/dbraw/zinc/06/96/51/291069651.db2.gz	KXADJEMGJTZNCH-UHFFFAOYSA-N	-1	1	358.346	3.286	1	5	biogenic,in-vitro	FGBFMM
O=c1c(=O)c(Nc2cc(Cl)c([N+](=O)[O-])cc2[O-])c1Nc1ccccc1	ZINC000101099369	222262408	/nfs/dbraw/zinc/26/24/08/222262408.db2.gz	LHKCPRHYTIEXOS-UHFFFAOYSA-N	-1	1	359.725	3.037	1	5		FGBFMM
O=c1[n-]cnc2c1N=C(c1cccc([N+](=O)[O-])c1)C[C@@H](c1ccccc1)N2	ZINC000018128100	211192074	/nfs/dbraw/zinc/19/20/74/211192074.db2.gz	VGUPBXNYOKCNJZ-HNNXBMFYSA-N	-1	1	361.361	3.356	3	5		FGBFMM
O=C1O[C@](O)(c2ccc([O-])c(Cl)c2)c2ccc([N+](=O)[O-])c3cccc1c32	ZINC000006567587	581098042	/nfs/dbraw/zinc/09/80/42/581098042.db2.gz	WYNHKJNPYFAGID-GOSISDBHSA-N	-1	1	371.732	3.471	1	5		FGBFMM
CC1(C)CC(O[P@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1O	ZINC000101982309	222287942	/nfs/dbraw/zinc/28/79/42/222287942.db2.gz	GMMZCVCOLAMKHF-UHFFFAOYSA-N	-1	1	373.322	3.458	1	5		FGBFMM
COc1c(O)ccc2c(=O)c3c(O)cc([O-])c(CC=C(C)C)c3n(C)c21	ZINC000014679118	291070158	/nfs/dbraw/zinc/07/01/58/291070158.db2.gz	CTBKLUWOTRWUBP-UHFFFAOYSA-N	-1	1	355.390	3.326	1	5	biogenic,in-vitro	FGBFMM