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(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC001468737675	1069157544	/nfs/dbraw/zinc/15/75/44/1069157544.db2.gz	RUUXMICXUBCWED-UHFFFAOYSA-N	-1	3	439.226	0.363	20	5		ICBDHM
CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC001475278177	1069719653	/nfs/dbraw/zinc/71/96/53/1069719653.db2.gz	RBSAIXYBIZPIFO-UHFFFAOYSA-N	-1	3	431.290	0.032	20	5		ICBDHM
CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC001475547868	1069772785	/nfs/dbraw/zinc/77/27/85/1069772785.db2.gz	QNYATXPQKFSKGV-UHFFFAOYSA-N	-1	3	443.301	0.126	20	5		ICBDHM
CN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CCS(C)(=O)=O	ZINC001475636165	1069796811	/nfs/dbraw/zinc/79/68/11/1069796811.db2.gz	ANJPEYACZXZCSC-UHFFFAOYSA-N	-1	3	444.329	0.612	20	5		ICBDHM
O=C(c1ccccc1)N1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)N2CC[C@H]1C2	ZINC001561393772	1073327637	/nfs/dbraw/zinc/32/76/37/1073327637.db2.gz	NRYSUFRJQVREIK-DLBZAZTESA-N	-1	3	431.474	0.867	20	5		ICBDHM
O=C(c1ccccc1)N1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)N2CC[C@H]1C2	ZINC001561393773	1073327563	/nfs/dbraw/zinc/32/75/63/1073327563.db2.gz	NRYSUFRJQVREIK-IRXDYDNUSA-N	-1	3	431.474	0.867	20	5		ICBDHM
CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC001561711236	1073363033	/nfs/dbraw/zinc/36/30/33/1073363033.db2.gz	ZUSNYRORDUSXFP-MRVPVSSYSA-N	-1	3	428.286	0.670	20	5		ICBDHM
CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC001561711237	1073362798	/nfs/dbraw/zinc/36/27/98/1073362798.db2.gz	ZUSNYRORDUSXFP-QMMMGPOBSA-N	-1	3	428.286	0.670	20	5		ICBDHM
CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC001561737801	1073366677	/nfs/dbraw/zinc/36/66/77/1073366677.db2.gz	BMYNXUOXDMVUAT-NXEZZACHSA-N	-1	3	429.270	0.448	20	5		ICBDHM
CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC001561737802	1073366605	/nfs/dbraw/zinc/36/66/05/1073366605.db2.gz	BMYNXUOXDMVUAT-UWVGGRQHSA-N	-1	3	429.270	0.448	20	5		ICBDHM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC001561737803	1073366733	/nfs/dbraw/zinc/36/67/33/1073366733.db2.gz	BMYNXUOXDMVUAT-VHSXEESVSA-N	-1	3	429.270	0.448	20	5		ICBDHM
CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC001561737804	1073366776	/nfs/dbraw/zinc/36/67/76/1073366776.db2.gz	BMYNXUOXDMVUAT-ZJUUUORDSA-N	-1	3	429.270	0.448	20	5		ICBDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC23COCCN2CCOC3)c(Br)c1	ZINC001561803797	1073376745	/nfs/dbraw/zinc/37/67/45/1073376745.db2.gz	XKYYAOFWMZOJPE-UHFFFAOYSA-N	-1	3	436.284	0.737	20	5		ICBDHM
Cn1ccc(=O)n(CCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1=O	ZINC001561803838	1073376920	/nfs/dbraw/zinc/37/69/20/1073376920.db2.gz	ZJJCIRHDIRMMDL-UHFFFAOYSA-N	-1	3	436.368	0.843	20	5		ICBDHM
COCCN(C)CCN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC001561841106	1073382653	/nfs/dbraw/zinc/38/26/53/1073382653.db2.gz	UJGHGVDEYOGJCY-GFCCVEGCSA-N	-1	3	434.902	0.706	20	5		ICBDHM
COCCN(C)CCN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC001561841107	1073382757	/nfs/dbraw/zinc/38/27/57/1073382757.db2.gz	UJGHGVDEYOGJCY-LBPRGKRZSA-N	-1	3	434.902	0.706	20	5		ICBDHM
O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)COCCN12	ZINC001561850760	1073385350	/nfs/dbraw/zinc/38/53/50/1073385350.db2.gz	GOKRISKFHAGJPZ-CYBMUJFWSA-N	-1	3	436.240	0.857	20	5		ICBDHM
O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)COCCN12	ZINC001561850761	1073385312	/nfs/dbraw/zinc/38/53/12/1073385312.db2.gz	GOKRISKFHAGJPZ-ZDUSSCGKSA-N	-1	3	436.240	0.857	20	5		ICBDHM
O=C1NCC2(CCOCC2)[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC001561910412	1073397246	/nfs/dbraw/zinc/39/72/46/1073397246.db2.gz	IBMQLRYOWRPZDF-GFCCVEGCSA-N	-1	3	434.268	0.931	20	5		ICBDHM
O=C1NCC2(CCOCC2)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC001561910413	1073397345	/nfs/dbraw/zinc/39/73/45/1073397345.db2.gz	IBMQLRYOWRPZDF-LBPRGKRZSA-N	-1	3	434.268	0.931	20	5		ICBDHM