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([O-])NNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000834251813	605732387	/nfs/dbraw/zinc/73/23/87/605732387.db2.gz	VKLCEMOQXRTLHN-UHFFFAOYSA-N	-2	0	241.159	0.213	20	50		BCGDRL
COc1c(F)ccc(F)c1C(=O)[N-]NC(=O)[O-]	ZINC000829072824	604156958	/nfs/dbraw/zinc/15/69/58/604156958.db2.gz	UIHUJRWMELDFBK-UHFFFAOYSA-N	-2	0	246.169	0.886	20	50		BCGDRL
Cc1noc(C(F)F)c1C(=O)[N-]NC(=O)[O-]	ZINC000830903322	603631306	/nfs/dbraw/zinc/63/13/06/603631306.db2.gz	AISJXJKKALMMAF-UHFFFAOYSA-N	-2	0	235.146	0.833	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1cnn(-c2ccccc2)n1	ZINC000832748494	605187129	/nfs/dbraw/zinc/18/71/29/605187129.db2.gz	MMYQYJGPKLBVAI-UHFFFAOYSA-N	-2	0	247.214	0.180	20	50		BCGDRL
O=C([O-])N[N-]C(=O)C(F)(F)C(F)F	ZINC000832743867	604246473	/nfs/dbraw/zinc/24/64/73/604246473.db2.gz	BSHFRQCBWMIPMY-UHFFFAOYSA-N	-2	0	204.079	0.186	20	50		BCGDRL
O=C([O-])NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000832744281	603496214	/nfs/dbraw/zinc/49/62/14/603496214.db2.gz	ITQSFGUNLMYTBM-UHFFFAOYSA-N	-2	0	225.160	0.902	20	50		BCGDRL
N#Cc1cc(F)c(C(=O)[N-]NC(=O)[O-])c(F)c1	ZINC000831114876	604158531	/nfs/dbraw/zinc/15/85/31/604158531.db2.gz	WKFGWZRVOHZPCP-UHFFFAOYSA-N	-2	0	241.153	0.749	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1ccn(C2CCCC2)n1	ZINC000832748907	604283772	/nfs/dbraw/zinc/28/37/72/604283772.db2.gz	VTISREMFVXNGRP-UHFFFAOYSA-N	-2	0	238.247	0.911	20	50		BCGDRL
O=C([O-])NNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000832748238	605525909	/nfs/dbraw/zinc/52/59/09/605525909.db2.gz	FZGWQGRBNXGVTM-UHFFFAOYSA-N	-2	0	241.159	0.213	20	50		BCGDRL
O=C([O-])NNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000834252084	605773880	/nfs/dbraw/zinc/77/38/80/605773880.db2.gz	YJUOWJAWLVMIRE-UHFFFAOYSA-N	-2	0	241.159	0.213	20	50		BCGDRL
O=C([O-])NNC(=O)c1ccc(F)cc1[O-]	ZINC000834251459	605830614	/nfs/dbraw/zinc/83/06/14/605830614.db2.gz	PKQWZUTWJATEKR-UHFFFAOYSA-N	-2	0	214.152	0.444	20	50		BCGDRL
O=C([O-])NNC(=O)c1cccc(Cl)c1[O-]	ZINC000834251032	605991117	/nfs/dbraw/zinc/99/11/17/605991117.db2.gz	LVDIKUMWYMGSCD-UHFFFAOYSA-N	-2	0	230.607	0.958	20	50		BCGDRL
Cc1cc(F)cc(S(=O)(=O)[N-]NC(=O)[O-])c1	ZINC000832888624	601318221	/nfs/dbraw/zinc/31/82/21/601318221.db2.gz	YVCZUHYPUGYEKB-UHFFFAOYSA-N	-2	0	248.235	0.595	20	50		BCGDRL
CN(N=Cc1ccc(C(=O)[O-])[nH]1)C(=O)[O-]	ZINC000828434414	603826539	/nfs/dbraw/zinc/82/65/39/603826539.db2.gz	AYDLIXJADPVVTR-UHFFFAOYSA-N	-2	0	211.177	0.657	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1nc(Cl)ccc1F	ZINC000834251729	605388490	/nfs/dbraw/zinc/38/84/90/605388490.db2.gz	QZEPOGKMHSLCAQ-UHFFFAOYSA-N	-2	0	233.586	0.787	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1cc(-c2ccccn2)no1	ZINC000832748422	603631625	/nfs/dbraw/zinc/63/16/25/603631625.db2.gz	KCNXSTREYNSKTQ-UHFFFAOYSA-N	-2	0	248.198	0.649	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1cnc2ccccc2n1	ZINC000832748228	605186962	/nfs/dbraw/zinc/18/69/62/605186962.db2.gz	FYLGQMXQEXALLC-UHFFFAOYSA-N	-2	0	232.199	0.542	20	50		BCGDRL
Cc1noc(C2CC2)c1C(=O)[N-]NC(=O)[O-]	ZINC000833931371	605597866	/nfs/dbraw/zinc/59/78/66/605597866.db2.gz	AKTUKKFOHGPKJR-UHFFFAOYSA-N	-2	0	225.204	0.773	20	50		BCGDRL
CC(C)Oc1cccnc1C(=O)[N-]NC(=O)[O-]	ZINC000824425401	604237600	/nfs/dbraw/zinc/23/76/00/604237600.db2.gz	PMNURNJSQJJEPT-UHFFFAOYSA-N	-2	0	239.231	0.781	20	50		BCGDRL
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)[O-]	ZINC000833062497	601789591	/nfs/dbraw/zinc/78/95/91/601789591.db2.gz	CCYSWBXLNFGDMW-LZCJLJQNSA-N	-2	0	206.157	0.704	20	50		BCGDRL
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)[O-]	ZINC000833062493	601789611	/nfs/dbraw/zinc/78/96/11/601789611.db2.gz	CCYSWBXLNFGDMW-BHQIHCQQSA-N	-2	0	206.157	0.704	20	50		BCGDRL
CC(C)c1cc(C(=O)[N-]NC(=O)[O-])nn1C	ZINC000824460375	603934128	/nfs/dbraw/zinc/93/41/28/603934128.db2.gz	XCHCAOBCEZJHLZ-UHFFFAOYSA-N	-2	0	226.236	0.456	20	50		BCGDRL
CCc1nnsc1C(=O)[N-]NC(=O)[O-]	ZINC000827663772	605188187	/nfs/dbraw/zinc/18/81/87/605188187.db2.gz	RBPTYESRYCGCKV-UHFFFAOYSA-N	-2	0	216.222	0.013	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1occc1Br	ZINC000832748957	603523407	/nfs/dbraw/zinc/52/34/07/603523407.db2.gz	XUMPFAMTIRVGFW-UHFFFAOYSA-N	-2	0	249.020	0.955	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1scnc1C1CC1	ZINC000834251743	605573776	/nfs/dbraw/zinc/57/37/76/605573776.db2.gz	RKGKVVMIUSUKRY-UHFFFAOYSA-N	-2	0	227.245	0.933	20	50		BCGDRL
O=C([O-])NN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000834250477	606003214	/nfs/dbraw/zinc/00/32/14/606003214.db2.gz	JIZVSQBZPKXMBG-UHFFFAOYSA-N	-2	0	248.198	0.863	20	50		BCGDRL
CCOc1cccnc1C(=O)[N-]NC(=O)[O-]	ZINC000827464736	604051409	/nfs/dbraw/zinc/05/14/09/604051409.db2.gz	BGZZZCUMHBXCSX-UHFFFAOYSA-N	-2	0	225.204	0.393	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1ncn(-c2ccccc2)n1	ZINC000834251774	605481077	/nfs/dbraw/zinc/48/10/77/605481077.db2.gz	TTWLBOGHKFDHGC-UHFFFAOYSA-N	-2	0	247.214	0.180	20	50		BCGDRL
O=C([O-])N[N-]C(=O)c1ccn(C(F)F)n1	ZINC000834251796	605991164	/nfs/dbraw/zinc/99/11/64/605991164.db2.gz	UQLFLHSEMXGBRF-UHFFFAOYSA-N	-2	0	220.135	0.191	20	50		BCGDRL
CCNc1nc(C(=O)[N-]NC(=O)[O-])cs1	ZINC000827274430	605525079	/nfs/dbraw/zinc/52/50/79/605525079.db2.gz	GMZSIDFWYQERES-UHFFFAOYSA-N	-2	0	230.249	0.487	20	50		BCGDRL