smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(=O)n([O-])c2ccccc2[n+]1[O-]	ZINC000001585726	181072347	/nfs/dbraw/zinc/07/23/47/181072347.db2.gz	CCMASLOTVARBMX-UHFFFAOYSA-N	-1	1	203.157	-0.256	40	30		BBEBMM
CC(C)=NNc1[nH]c(=O)[n-]c(=O)c1NC(C)=O	ZINC000004946626	384090671	/nfs/dbraw/zinc/09/06/71/384090671.db2.gz	YJCCVQLVASXYLG-UHFFFAOYSA-N	-1	1	239.235	-0.171	40	30		BBEBMM
C=c1[nH]c(=S)[n-]c(=O)c1=CNNC(N)=S	ZINC000005295182	180028091	/nfs/dbraw/zinc/02/80/91/180028091.db2.gz	CYZAMADULYIGOW-XNWCZRBMSA-N	-1	1	243.317	-0.054	40	30		BBEBMM
Nn1cnnc1[N-]N=C1c2ccccc2NC1=O	ZINC000008381897	384201737	/nfs/dbraw/zinc/20/17/37/384201737.db2.gz	UUCATPPSGSWOTM-UHFFFAOYSA-N	-1	1	243.230	-0.240	40	30		BBEBMM
C[S@](=O)CC(=N\[O-])/C(C[S@@](C)=O)=N\O	ZINC000016155598	384452956	/nfs/dbraw/zinc/45/29/56/384452956.db2.gz	FUCQNNPPINQEQN-RNVXRKFXSA-N	-1	1	240.306	-0.596	40	30		BBEBMM
O=C1NN(c2ccccc2)C(=O)/C1=N\[O-]	ZINC000016488465	384459905	/nfs/dbraw/zinc/45/99/05/384459905.db2.gz	ADKXYBKMNSVPOO-XFFZJAGNSA-N	-1	1	205.173	-0.105	40	30		BBEBMM
CCOC(=O)C1=C(N)C([O-])=CC(=O)C1=O	ZINC000100251162	170191183	/nfs/dbraw/zinc/19/11/83/170191183.db2.gz	NVUZJGRSDIAZIV-UHFFFAOYSA-N	-1	1	211.173	-0.644	40	30		BBEBMM
C=CCN1C(=O)C(=CNCC)C(=O)[N-]C1=S	ZINC000100962695	166350668	/nfs/dbraw/zinc/35/06/68/166350668.db2.gz	MFYRVRXMXMPFSG-VOTSOKGWSA-N	-1	1	239.300	-0.091	40	30		BBEBMM
C[S@](=O)CC(=N/[O-])/C(C[S@@](C)=O)=N/O	ZINC000104239189	491128143	/nfs/dbraw/zinc/12/81/43/491128143.db2.gz	FUCQNNPPINQEQN-JEUCKKMGSA-N	-1	1	240.306	-0.596	40	30		BBEBMM
C[S@](=O)CC(=N/[O-])/C(C[S@@](C)=O)=N\O	ZINC000104239194	491128155	/nfs/dbraw/zinc/12/81/55/491128155.db2.gz	FUCQNNPPINQEQN-DLISLWQXSA-N	-1	1	240.306	-0.596	40	30		BBEBMM
C[S@](=O)CC(=N\[O-])/C(C[S@@](C)=O)=N/O	ZINC000104239199	491128137	/nfs/dbraw/zinc/12/81/37/491128137.db2.gz	FUCQNNPPINQEQN-OGPIIVNSSA-N	-1	1	240.306	-0.596	40	30		BBEBMM
Cc1nonc1C1=NOC(=N\O)/C1=N/[O-]	ZINC000108528871	388626426	/nfs/dbraw/zinc/62/64/26/388626426.db2.gz	UOMKQCLQDNZNNN-YMBWGVAGSA-N	-1	1	211.137	-0.270	40	30		BBEBMM
COC[C@H](/C(C)=C\C(=N[O-])C(N)=O)[N+](=O)[O-]	ZINC000299888373	352549640	/nfs/dbraw/zinc/54/96/40/352549640.db2.gz	HCUOEKSZWPGJIM-DPCLFSSNSA-N	-1	1	231.208	-0.460	40	30		BBEBMM
COC[C@H](/C(C)=C/C(=N[O-])C(N)=O)[N+](=O)[O-]	ZINC000299888374	352549731	/nfs/dbraw/zinc/54/97/31/352549731.db2.gz	HCUOEKSZWPGJIM-JCAZILHISA-N	-1	1	231.208	-0.460	40	30		BBEBMM
COC[C@@H](/C(C)=C\C(=N[O-])C(N)=O)[N+](=O)[O-]	ZINC000299888375	352549660	/nfs/dbraw/zinc/54/96/60/352549660.db2.gz	HCUOEKSZWPGJIM-XOOTZBRPSA-N	-1	1	231.208	-0.460	40	30		BBEBMM
COC[C@@H](/C(C)=C/C(=N[O-])C(N)=O)[N+](=O)[O-]	ZINC000299888376	352549665	/nfs/dbraw/zinc/54/96/65/352549665.db2.gz	HCUOEKSZWPGJIM-YZNUBSMSSA-N	-1	1	231.208	-0.460	40	30		BBEBMM