smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(Cc1ccc(F)cc1Br)=NNC(=O)C[N+](C)(C)C	ZINC000814694471	717190978	/nfs/dbraw/zinc/19/09/78/717190978.db2.gz	LYTCHAHUJSXUCU-UHFFFAOYSA-O	1	0	345.236	2.329	20	50		EEGDRO
C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C[N+](C)(C)C	ZINC000794454743	717188977	/nfs/dbraw/zinc/18/89/77/717188977.db2.gz	BALQINGQMCHVDA-QMMMGPOBSA-O	1	0	331.223	2.301	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2ccc(OC(F)(F)F)cc21	ZINC000794457167	717189703	/nfs/dbraw/zinc/18/97/03/717189703.db2.gz	OSPAQOJOITYNFA-UHFFFAOYSA-O	1	0	330.330	2.058	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Br)cc1C	ZINC000884374259	717192298	/nfs/dbraw/zinc/19/22/98/717192298.db2.gz	KGALGKLKINXWBO-UHFFFAOYSA-O	1	0	327.246	2.304	20	50		EEGDRO
COc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1OCCC(C)C	ZINC000794456564	717189952	/nfs/dbraw/zinc/18/99/52/717189952.db2.gz	LLPYEKJVKMYCRE-UHFFFAOYSA-O	1	0	336.456	2.276	20	50		EEGDRO
COc1cccc(CC(=NNC(=O)C[N+](C)(C)C)c2ccccc2)c1	ZINC000794457768	717190358	/nfs/dbraw/zinc/19/03/58/717190358.db2.gz	VMQNIVJDHMVUDB-UHFFFAOYSA-O	1	0	340.447	2.464	20	50		EEGDRO
Cc1cc(Br)cc2c1C(=NNC(=O)C[N+](C)(C)C)CC2	ZINC000794455287	717189221	/nfs/dbraw/zinc/18/92/21/717189221.db2.gz	DSZZWHGXYXLHGQ-UHFFFAOYSA-O	1	0	339.257	2.230	20	50		EEGDRO
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)c2cccc(Br)c21	ZINC000794457566	717190351	/nfs/dbraw/zinc/19/03/51/717190351.db2.gz	SLJTYHCNWZZZFG-SNVBAGLBSA-O	1	0	339.257	2.483	20	50		EEGDRO
O=C(CCl)Nc1cccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2	ZINC001164769663	721296310	/nfs/dbraw/zinc/29/63/10/721296310.db2.gz	KTUDIEMHGWQIBG-UHFFFAOYSA-N	1	0	334.851	2.181	20	50		EEGDRO
CCC(=NNC(=O)C[N+](C)(C)C)c1cccc(Br)c1	ZINC000916270845	717193840	/nfs/dbraw/zinc/19/38/40/717193840.db2.gz	QAOHKIREWMXUKZ-UHFFFAOYSA-O	1	0	327.246	2.386	20	50		EEGDRO
CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C[N+](C)(C)C	ZINC000794455332	717189245	/nfs/dbraw/zinc/18/92/45/717189245.db2.gz	FIHGNASOJDYNDE-CQSZACIVSA-O	1	0	337.463	2.464	20	50		EEGDRO
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC001575870011	949481627	/nfs/dbraw/zinc/48/16/27/949481627.db2.gz	TUYZKVSECZVWCQ-JGGQBBKZSA-N	1	0	346.866	2.252	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2cc(Br)ccc2C1	ZINC000794457272	717190014	/nfs/dbraw/zinc/19/00/14/717190014.db2.gz	QQDRSMDSUQUIBR-UHFFFAOYSA-O	1	0	339.257	2.116	20	50		EEGDRO
CCCCCOc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OC	ZINC000794454792	717189180	/nfs/dbraw/zinc/18/91/80/717189180.db2.gz	BLVGOBGAKCIHQI-UHFFFAOYSA-O	1	0	336.456	2.421	20	50		EEGDRO
COc1ccc(C(C)=NNC(=O)C[N+](C)(C)C)c(Br)c1	ZINC000794458296	717190997	/nfs/dbraw/zinc/19/09/97/717190997.db2.gz	ZUQXHMVLPMIBAF-UHFFFAOYSA-O	1	0	343.245	2.004	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCCc2c(Br)cccc21	ZINC000794457562	717190314	/nfs/dbraw/zinc/19/03/14/717190314.db2.gz	SJQJSADEJYUNJD-UHFFFAOYSA-O	1	0	339.257	2.312	20	50		EEGDRO
CCCCOc1ccc(C=NNC(=O)C[N+](C)(C)C)cc1OCC	ZINC000916270906	717194285	/nfs/dbraw/zinc/19/42/85/717194285.db2.gz	VNWRAUITZUNBOT-UHFFFAOYSA-O	1	0	336.456	2.421	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cnn(-c2cccc(Cl)c2)c1C	ZINC000794458287	717191072	/nfs/dbraw/zinc/19/10/72/717191072.db2.gz	ZMLPHTGAJVEWRD-UHFFFAOYSA-O	1	0	348.858	2.381	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(Br)ccc1F	ZINC000794456292	717189972	/nfs/dbraw/zinc/18/99/72/717189972.db2.gz	KOCBDMVCHDQLJO-UHFFFAOYSA-O	1	0	331.209	2.135	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Br)c(F)c1	ZINC000794454801	717189478	/nfs/dbraw/zinc/18/94/78/717189478.db2.gz	BPLUXHNVEXEMOR-UHFFFAOYSA-O	1	0	331.209	2.135	20	50		EEGDRO
CCC[NH+](CCC)CCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825313380	607337233	/nfs/dbraw/zinc/33/72/33/607337233.db2.gz	CTSRSESKGZVXLP-UHFFFAOYSA-N	1	0	345.451	2.212	20	50		EEGDRO
CCC[NH+](CCC)CCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825313996	607356150	/nfs/dbraw/zinc/35/61/50/607356150.db2.gz	VTVDPASVSRLERX-UHFFFAOYSA-N	1	0	345.451	2.212	20	50		EEGDRO
C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C[N+](C)(C)C	ZINC000794454739	717188921	/nfs/dbraw/zinc/18/89/21/717188921.db2.gz	BALQINGQMCHVDA-MRVPVSSYSA-O	1	0	331.223	2.301	20	50		EEGDRO
Cc1cc(C=NNC(=O)C[N+](C)(C)C)c(C)n1-c1ccccc1F	ZINC000794456844	717189953	/nfs/dbraw/zinc/18/99/53/717189953.db2.gz	NFTBTVRFTAGPAY-UHFFFAOYSA-O	1	0	331.415	2.390	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(Cl)ccc1OC(F)F	ZINC000794455538	717189487	/nfs/dbraw/zinc/18/94/87/717189487.db2.gz	HSWOASUYHKLSAI-UHFFFAOYSA-O	1	0	334.774	2.488	20	50		EEGDRO
CCC(=NNC(=O)C[N+](C)(C)C)c1ccc(Br)cc1	ZINC000916270405	717193166	/nfs/dbraw/zinc/19/31/66/717193166.db2.gz	DJWMQKZRWRYVND-UHFFFAOYSA-O	1	0	327.246	2.386	20	50		EEGDRO
CC(Cc1ccc(Br)c(F)c1)=NNC(=O)C[N+](C)(C)C	ZINC000794457233	717189959	/nfs/dbraw/zinc/18/99/59/717189959.db2.gz	PWIOVRSYAQKELP-UHFFFAOYSA-O	1	0	345.236	2.329	20	50		EEGDRO
CC(Cc1ccc(Br)cc1)=NNC(=O)C[N+](C)(C)C	ZINC000814694318	717191213	/nfs/dbraw/zinc/19/12/13/717191213.db2.gz	FLDXDOWCDBPVFU-UHFFFAOYSA-O	1	0	327.246	2.190	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2cccc(Br)c2C1	ZINC000814694256	717191042	/nfs/dbraw/zinc/19/10/42/717191042.db2.gz	BWDYYLLKLCXYHA-UHFFFAOYSA-O	1	0	339.257	2.116	20	50		EEGDRO
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC001575870007	949482653	/nfs/dbraw/zinc/48/26/53/949482653.db2.gz	TUYZKVSECZVWCQ-DUVNUKRYSA-N	1	0	346.866	2.252	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(C)c(Br)s1	ZINC000794858674	717190810	/nfs/dbraw/zinc/19/08/10/717190810.db2.gz	RTGUCOBWLKYBFI-UHFFFAOYSA-O	1	0	333.275	2.365	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCCc2ccc(Br)cc21	ZINC000794457674	717190457	/nfs/dbraw/zinc/19/04/57/717190457.db2.gz	UHZALNLGFKTXQW-UHFFFAOYSA-O	1	0	339.257	2.312	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cnn(-c2cc(C)ccc2C)c1C	ZINC000794455264	717189284	/nfs/dbraw/zinc/18/92/84/717189284.db2.gz	DHESQHUBDHLWOG-UHFFFAOYSA-O	1	0	342.467	2.344	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(F)c(Br)c1	ZINC000812379169	717190827	/nfs/dbraw/zinc/19/08/27/717190827.db2.gz	PLXGEEVNIVLABF-UHFFFAOYSA-O	1	0	331.209	2.135	20	50		EEGDRO
CC[C@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C[N+](C)(C)C	ZINC000794455331	717189196	/nfs/dbraw/zinc/18/91/96/717189196.db2.gz	FIHGNASOJDYNDE-AWEZNQCLSA-O	1	0	337.463	2.464	20	50		EEGDRO
CCOc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCC(C)C	ZINC000916271141	717193908	/nfs/dbraw/zinc/19/39/08/717193908.db2.gz	ZPSXZFQSRSYPPE-UHFFFAOYSA-O	1	0	336.456	2.276	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2c1cc(Br)cc2F	ZINC000794457530	717190327	/nfs/dbraw/zinc/19/03/27/717190327.db2.gz	SDTOHJFETPRJGK-UHFFFAOYSA-O	1	0	343.220	2.061	20	50		EEGDRO
CCOc1ccc(C(CC)=NNC(=O)C[N+](C)(C)C)cc1OCC	ZINC000920824977	717193988	/nfs/dbraw/zinc/19/39/88/717193988.db2.gz	DLXPLKZTWRNVHS-UHFFFAOYSA-O	1	0	336.456	2.421	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCOc2c(Cl)ccc(Cl)c21	ZINC000794457201	717189948	/nfs/dbraw/zinc/18/99/48/717189948.db2.gz	PIINWIMGIXPLSR-UHFFFAOYSA-O	1	0	331.223	2.302	20	50		EEGDRO
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC001575870005	949482053	/nfs/dbraw/zinc/48/20/53/949482053.db2.gz	TUYZKVSECZVWCQ-BJJXKVORSA-N	1	0	346.866	2.252	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=Cc1cccc(OCc2ccccc2)c1	ZINC000916270451	717193118	/nfs/dbraw/zinc/19/31/18/717193118.db2.gz	GXWNMLMHXGVMOG-UHFFFAOYSA-O	1	0	326.420	2.422	20	50		EEGDRO
C[C@H]1[C@H](C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)[C@H]1Cl	ZINC001575870013	949480873	/nfs/dbraw/zinc/48/08/73/949480873.db2.gz	TUYZKVSECZVWCQ-NOLJZWGESA-N	1	0	346.866	2.252	20	50		EEGDRO
CCCOc1ccc(C=NNC(=O)C[N+](C)(C)C)c(OCCC)c1	ZINC000916270877	717193831	/nfs/dbraw/zinc/19/38/31/717193831.db2.gz	RWPQTRLMJILZRN-UHFFFAOYSA-O	1	0	336.456	2.421	20	50		EEGDRO
O=C(CCl)Nc1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1	ZINC001164774414	721301358	/nfs/dbraw/zinc/30/13/58/721301358.db2.gz	BJFNGJAGHRLODF-UHFFFAOYSA-N	1	0	334.851	2.181	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCCc2sc(Br)cc21	ZINC000814694698	717190776	/nfs/dbraw/zinc/19/07/76/717190776.db2.gz	VPFJABKKEZDPHM-UHFFFAOYSA-O	1	0	345.286	2.373	20	50		EEGDRO
COc1ccc(-n2c(C)cc(C=NNC(=O)C[N+](C)(C)C)c2C)cc1	ZINC000916270878	717194503	/nfs/dbraw/zinc/19/45/03/717194503.db2.gz	SAFFYJIGWYNAPX-UHFFFAOYSA-O	1	0	343.451	2.259	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCc2c1c(Br)ccc2F	ZINC000794457542	717190387	/nfs/dbraw/zinc/19/03/87/717190387.db2.gz	SDVYQOJSCURUMH-UHFFFAOYSA-O	1	0	343.220	2.061	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=C1CCCc2cc(Br)ccc21	ZINC000794454860	717189188	/nfs/dbraw/zinc/18/91/88/717189188.db2.gz	CPJWELNYNBQSCV-UHFFFAOYSA-O	1	0	339.257	2.312	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Br)cc1F	ZINC000794456481	717189620	/nfs/dbraw/zinc/18/96/20/717189620.db2.gz	LITAHGHSJORHBY-UHFFFAOYSA-O	1	0	331.209	2.135	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(F)cc1Br	ZINC000794458280	717191089	/nfs/dbraw/zinc/19/10/89/717191089.db2.gz	ZGFKLGMSPCNPQZ-UHFFFAOYSA-O	1	0	331.209	2.135	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1	ZINC000916271070	717194076	/nfs/dbraw/zinc/19/40/76/717194076.db2.gz	XQTPZGWWIXFQES-UHFFFAOYSA-O	1	0	326.420	2.422	20	50		EEGDRO
C[N+](C)(C)CC(=O)NN=Cc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1	ZINC000794455341	717189197	/nfs/dbraw/zinc/18/91/97/717189197.db2.gz	FMPNTIDMMJRXIP-UHFFFAOYSA-O	1	0	344.483	2.034	20	50		EEGDRO
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)c2cccc(Br)c21	ZINC000794457565	717190309	/nfs/dbraw/zinc/19/03/09/717190309.db2.gz	SLJTYHCNWZZZFG-JTQLQIEISA-O	1	0	339.257	2.483	20	50		EEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(N2CCCCC2)c(F)c1	ZINC000916270389	717193238	/nfs/dbraw/zinc/19/32/38/717193238.db2.gz	BSEXSKRILVLXDG-UHFFFAOYSA-O	1	0	335.447	2.362	20	50		EEGDRO