smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH]c(N=Nc2ccccc2C(=O)[O-])n1	ZINC000005387207	342763035	/nfs/dbraw/zinc/76/30/35/342763035.db2.gz	NGVXPBBRJFZPGM-CCEZHUSRSA-N	-1	0	230.227	2.832	40	10		BFCBRM
CC(=C1SC(=S)N=C1[O-])c1ccccc1	ZINC000001700966	187245148	/nfs/dbraw/zinc/24/51/48/187245148.db2.gz	NGQUBXTVJKYYRQ-VQHVLOKHSA-N	-1	0	235.333	2.566	40	10		BFCBRM
Cc1cc(CCC(=O)[O-])c(C)n1-c1ccccn1	ZINC000223753024	386098622	/nfs/dbraw/zinc/09/86/22/386098622.db2.gz	FBODZRPFHQWMBK-UHFFFAOYSA-N	-1	0	244.294	2.506	40	10		BFCBRM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccccn1	ZINC000223752906	177698963	/nfs/dbraw/zinc/69/89/63/177698963.db2.gz	CERQOQOXPNMTBD-VOTSOKGWSA-N	-1	0	242.278	2.587	40	10		BFCBRM
CC(C)c1ccc2c(N)c(C(=O)[O-])sc2n1	ZINC000059606817	388398763	/nfs/dbraw/zinc/39/87/63/388398763.db2.gz	BHHKOSPJIWHBHR-UHFFFAOYSA-N	-1	0	236.296	2.700	40	10		BFCBRM
O=C([O-])/C=C/c1ccc(N2CCCCC2)cc1	ZINC000020432631	385514195	/nfs/dbraw/zinc/51/41/95/385514195.db2.gz	YTISCXXFAWKVSE-RMKNXTFCSA-N	-1	0	231.295	2.775	40	10		BFCBRM
CCCN(C)/N=N\c1ccccc1C(=O)[O-]	ZINC000104151055	169049793	/nfs/dbraw/zinc/04/97/93/169049793.db2.gz	ZMEOAYBTLXINRY-SEYXRHQNSA-N	-1	0	221.260	2.725	40	10		BFCBRM
O=C([O-])[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21	ZINC000058850704	386464169	/nfs/dbraw/zinc/46/41/69/386464169.db2.gz	CVJHIDHNTZEJPW-QOSJWCAFSA-N	-1	0	249.697	2.878	40	10		BFCBRM
CCN(CC)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000090449976	384049918	/nfs/dbraw/zinc/04/99/18/384049918.db2.gz	DOERLUCWEUSMIF-YFHOEESVSA-N	-1	0	219.284	2.631	40	10		BFCBRM
CCc1cc(C(=O)[O-])[nH]c1-c1ccccc1	ZINC000005667074	346629913	/nfs/dbraw/zinc/62/99/13/346629913.db2.gz	UMOJSVVEHFOXKH-UHFFFAOYSA-N	-1	0	215.252	2.942	40	10		BFCBRM
CCCN(C)/N=N/c1ccccc1C(=O)[O-]	ZINC000001702174	169049073	/nfs/dbraw/zinc/04/90/73/169049073.db2.gz	ZMEOAYBTLXINRY-OUKQBFOZSA-N	-1	0	221.260	2.725	40	10		BFCBRM
O=C([O-])c1sc2cc(Cl)ccc2c1O	ZINC000084722623	384893497	/nfs/dbraw/zinc/89/34/97/384893497.db2.gz	HYDDMVANLIFXSD-UHFFFAOYSA-N	-1	0	228.656	2.959	40	10		BFCBRM
Oc1ccccc1[C@@H]1C[C@@H](c2ccccc2)NN1	ZINC000096306163	187288993	/nfs/dbraw/zinc/28/89/93/187288993.db2.gz	NMQXZYLLZXBBHB-KBPBESRZSA-N	-1	0	240.306	2.673	40	10		BFCBRM
Nc1ccc(Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000001750451	342712033	/nfs/dbraw/zinc/71/20/33/342712033.db2.gz	KACYBLNWLGHEGQ-UHFFFAOYSA-N	-1	0	227.263	2.558	40	10		BFCBRM
Nc1ccc(Nc2ccccc2C(=O)[O-])cc1	ZINC000001688663	342709128	/nfs/dbraw/zinc/70/91/28/342709128.db2.gz	UQBGXJCUJOULGZ-UHFFFAOYSA-N	-1	0	228.251	2.711	40	10		BFCBRM
O=C([O-])c1ccccc1/N=N/c1ncc[nH]1	ZINC000005531318	342765582	/nfs/dbraw/zinc/76/55/82/342765582.db2.gz	XRAAVRBABUXMLA-BUHFOSPRSA-N	-1	0	216.200	2.523	40	10		BFCBRM
COc1ccc(N2[C@H](C)CC[C@H]2C)cc1C(=O)[O-]	ZINC000008703819	175140103	/nfs/dbraw/zinc/14/01/03/175140103.db2.gz	IOJQHOVVGIQZTH-NXEZZACHSA-N	-1	0	249.310	2.771	40	10		BFCBRM
Cc1ccc(C)c(N=Nc2c(N)o[n-]c2=O)c1	ZINC000005541953	178463435	/nfs/dbraw/zinc/46/34/35/178463435.db2.gz	GEXJRCZBHBOLOJ-BUHFOSPRSA-N	-1	0	232.243	2.582	40	10		BFCBRM
Cc1ccc(C)n1-c1ccc(OCC(=O)[O-])cc1	ZINC000000267005	342681658	/nfs/dbraw/zinc/68/16/58/342681658.db2.gz	VKHKAGOXFDDDIY-UHFFFAOYSA-N	-1	0	245.278	2.558	40	10		BFCBRM
Cc1ccc2c(c1C)N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000100833054	384657113	/nfs/dbraw/zinc/65/71/13/384657113.db2.gz	UORZCPZFZNBVDZ-UHIISALHSA-N	-1	0	243.306	2.842	40	10		BFCBRM
CN(C)c1ccc(/C=C/C(=O)[O-])c(Cl)c1	ZINC000002504989	386294204	/nfs/dbraw/zinc/29/42/04/386294204.db2.gz	YUBUWCZZSPJHNR-GQCTYLIASA-N	-1	0	225.675	2.504	40	10		BFCBRM
CN(C)/N=N/c1ccc(Cl)cc1C(=O)[O-]	ZINC000001761029	172353813	/nfs/dbraw/zinc/35/38/13/172353813.db2.gz	PYRRGMPRUNPKOH-VAWYXSNFSA-N	-1	0	227.651	2.599	40	10		BFCBRM
CN(C)/N=N\c1ccc(Cl)cc1C(=O)[O-]	ZINC000104183658	172353693	/nfs/dbraw/zinc/35/36/93/172353693.db2.gz	PYRRGMPRUNPKOH-QXMHVHEDSA-N	-1	0	227.651	2.599	40	10		BFCBRM
O=C1c2ccccc2C(=O)c2c([S-])cccc21	ZINC000004783233	182845586	/nfs/dbraw/zinc/84/55/86/182845586.db2.gz	YHCIQYSVFONICB-UHFFFAOYSA-N	-1	0	240.283	2.751	40	10		BFCBRM
[N-]=[N+]=NC=C([O-])c1cc2ccccc2o1	ZINC000107339256	384485804	/nfs/dbraw/zinc/48/58/04/384485804.db2.gz	SVLNHPBCTQFFLO-UHFFFAOYSA-N	-1	0	201.185	2.926	40	10		BFCBRM
Cc1[n-][nH]c(=O)c1N=Nc1ccccc1	ZINC000018082946	397882128	/nfs/dbraw/zinc/88/21/28/397882128.db2.gz	PKCVNITZGQCHCV-OUKQBFOZSA-N	-1	0	202.217	2.839	40	10		BFCBRM