smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000083308381	558833432	/nfs/dbraw/zinc/83/34/32/558833432.db2.gz	JHIRVBYUUZNNHY-VGOFMYFVSA-N	-2	0	415.789	4.077	40	10		HICBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000033722808	568697734	/nfs/dbraw/zinc/69/77/34/568697734.db2.gz	CGMLKCFKWSCSLG-GZTJUZNOSA-N	-2	0	420.352	4.291	40	10		HICBRL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000083327270	558833640	/nfs/dbraw/zinc/83/36/40/558833640.db2.gz	WPHCNNRTPTWWKK-WUXMJOGZSA-N	-2	0	422.180	4.114	40	10		HICBRL
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000408537610	557349150	/nfs/dbraw/zinc/34/91/50/557349150.db2.gz	GHOBZBSEZSACLT-YBEGLDIGSA-N	-2	0	414.259	4.174	40	10		HICBRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)ccc1F	ZINC000223372577	568546803	/nfs/dbraw/zinc/54/68/03/568546803.db2.gz	XWWAVCITWMHPCU-UHFFFAOYSA-N	-2	0	412.851	4.102	40	10		HICBRL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1	ZINC000005215134	557640477	/nfs/dbraw/zinc/64/04/77/557640477.db2.gz	ASNPMQXWJZBVCD-LHQXNBGVSA-N	-2	0	411.460	4.045	40	10		HICBRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)c1	ZINC000223371153	568546734	/nfs/dbraw/zinc/54/67/34/568546734.db2.gz	JJXUVVANJITICG-UHFFFAOYSA-N	-2	0	412.851	4.102	40	10		HICBRL
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000016488396	558794317	/nfs/dbraw/zinc/79/43/17/558794317.db2.gz	YDOCHJIGBVPZSN-ATVHPVEESA-N	-2	0	402.362	4.152	40	10		HICBRL
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000409042565	560669076	/nfs/dbraw/zinc/66/90/76/560669076.db2.gz	NJVGVXANXTYUSU-LFYBBSHMSA-N	-2	0	411.628	4.019	40	10		HICBRL
COc1ccccc1N=Nc1c(C)[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c1=O	ZINC000104265293	559159612	/nfs/dbraw/zinc/15/96/12/559159612.db2.gz	NXGHAYHVIAMUBQ-VXPUYCOJSA-N	-2	0	422.850	4.210	40	10		HICBRL
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409044345	560669336	/nfs/dbraw/zinc/66/93/36/560669336.db2.gz	CFERREPUGHLNRL-NYYWCZLTSA-N	-2	0	411.628	4.019	40	10		HICBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1	ZINC000016488248	560860993	/nfs/dbraw/zinc/86/09/93/560860993.db2.gz	YPWOJXFVKQGGKM-SFQUDFHCSA-N	-2	0	402.362	4.152	40	10		HICBRL
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000409047707	560669762	/nfs/dbraw/zinc/66/97/62/560669762.db2.gz	QBZFUUCHRUXTAW-UXBLZVDNSA-N	-2	0	411.628	4.019	40	10		HICBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000255987236	568774583	/nfs/dbraw/zinc/77/45/83/568774583.db2.gz	MEMAKMVPPFASSB-UHFFFAOYSA-N	-2	0	424.438	4.407	40	10		HICBRL
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409046141	560669425	/nfs/dbraw/zinc/66/94/25/560669425.db2.gz	IZLCRJIYBQFBKW-WEVVVXLNSA-N	-2	0	411.628	4.019	40	10		HICBRL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000223256932	568542820	/nfs/dbraw/zinc/54/28/20/568542820.db2.gz	LPMAYHCLBMDKKL-UHFFFAOYSA-N	-2	0	422.915	4.282	40	10		HICBRL
COc1ccccc1N=Nc1c(C)[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c1=O	ZINC000025693742	558648012	/nfs/dbraw/zinc/64/80/12/558648012.db2.gz	NXGHAYHVIAMUBQ-FMQUCBEESA-N	-2	0	422.850	4.210	40	10		HICBRL