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/c1ccc([N+](=O)[O-])cc1)c1c(O)cccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004565978	557142682	/nfs/dbraw/zinc/14/26/82/557142682.db2.gz	AZLVLUVDAXJKAC-UZKISEOXSA-N	0	1	447.396	0.375	40	30		ICEBMN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)cccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004565980	557142708	/nfs/dbraw/zinc/14/27/08/557142708.db2.gz	AZLVLUVDAXJKAC-LBGFYVEZSA-N	0	1	447.396	0.375	40	30		ICEBMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(NNC(=S)NN)=C1SC(=S)NC1=O	ZINC000017213189	556673381	/nfs/dbraw/zinc/67/33/81/556673381.db2.gz	DIFVXQFVTKOSRM-ZBPACCJBSA-N	0	1	427.493	0.892	40	30		ICEBMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(NNC(=S)NN)=C1SC(=S)NC1=O	ZINC000017213192	556673452	/nfs/dbraw/zinc/67/34/52/556673452.db2.gz	DIFVXQFVTKOSRM-SEYNJHBTSA-N	0	1	427.493	0.892	40	30		ICEBMN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)cccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000025692786	557409517	/nfs/dbraw/zinc/40/95/17/557409517.db2.gz	AZLVLUVDAXJKAC-MFXIWVOTSA-N	0	1	447.396	0.375	40	30		ICEBMN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)cccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000025692794	557409875	/nfs/dbraw/zinc/40/98/75/557409875.db2.gz	AZLVLUVDAXJKAC-BWZYDDMPSA-N	0	1	447.396	0.375	40	30		ICEBMN
COc1ccc([N+](=O)[O-])cc1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000033907119	557810153	/nfs/dbraw/zinc/81/01/53/557810153.db2.gz	XCUMDFJYLQYYGB-MOSHPQCFSA-N	0	1	444.452	0.908	40	30		ICEBMN
COc1ccc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc1[N+](=O)[O-]	ZINC000033921389	557810123	/nfs/dbraw/zinc/81/01/23/557810123.db2.gz	VGRHKBLCWMRLDF-MOSHPQCFSA-N	0	1	444.452	0.908	40	30		ICEBMN
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(Br)c1O	ZINC000059488836	557825849	/nfs/dbraw/zinc/82/58/49/557825849.db2.gz	FGELUUIXLVARKJ-CNHKJKLMSA-N	0	1	437.254	0.893	40	30		ICEBMN
Cc1cc2c3c(c1O)C(=O)C(C)=C[C@H](C)[C@H](O)[C@H](O)C(=O)[C@]1(C)CNC(=C(O1)C3=O)C2=O	ZINC000104207302	557322213	/nfs/dbraw/zinc/32/22/13/557322213.db2.gz	AEOHQCNSULXJCM-POPOXYJHSA-N	0	1	441.436	0.739	40	30		ICEBMN
Cc1cc2c3c(c1O)C(=O)C(C)=C[C@H](C)[C@H](O)[C@H](O)C(=O)[C@]1(C)CNC(=C(O1)C3=O)C2=O	ZINC000104207309	557322246	/nfs/dbraw/zinc/32/22/46/557322246.db2.gz	AEOHQCNSULXJCM-BIAITUSXSA-N	0	1	441.436	0.739	40	30		ICEBMN
Cc1cc2c3c(c1O)C(=O)C(C)=C[C@@H](C)[C@H](O)[C@H](O)C(=O)[C@]1(C)CNC(=C(O1)C3=O)C2=O	ZINC000104207316	557322190	/nfs/dbraw/zinc/32/21/90/557322190.db2.gz	AEOHQCNSULXJCM-HRDMUKPFSA-N	0	1	441.436	0.739	40	30		ICEBMN
Cc1cc2c3c(c1O)C(=O)C(C)=C[C@@H](C)[C@H](O)[C@H](O)C(=O)[C@]1(C)CNC(=C(O1)C3=O)C2=O	ZINC000104207323	525630064	/nfs/dbraw/zinc/63/00/64/525630064.db2.gz	AEOHQCNSULXJCM-JDVHBMOGSA-N	0	1	441.436	0.739	40	30		ICEBMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(NNC(=S)NN)=C1SC(=S)NC1=O	ZINC000104293706	557324368	/nfs/dbraw/zinc/32/43/68/557324368.db2.gz	DIFVXQFVTKOSRM-YSUMALLGSA-N	0	1	427.493	0.052	40	30		ICEBMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(NNC(=S)NN)=C1SC(=S)NC1=O	ZINC000104293712	557324249	/nfs/dbraw/zinc/32/42/49/557324249.db2.gz	DIFVXQFVTKOSRM-QNNPZSRPSA-N	0	1	427.493	0.052	40	30		ICEBMN
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1=O	ZINC000409209274	556998305	/nfs/dbraw/zinc/99/83/05/556998305.db2.gz	INEKRRAULGWHMB-RVDMUPIBSA-N	0	1	429.429	0.581	40	30		ICEBMN
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)C1=O	ZINC000409220077	557003882	/nfs/dbraw/zinc/00/38/82/557003882.db2.gz	XZSRVBKQJUYDDL-FOWTUZBSSA-N	0	1	443.456	0.971	40	30		ICEBMN