smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CON(C)[C@](O)(N[C@@H](C)C=O)OC(C)(C)C	ZINC000205431646	350148320	/nfs/dbraw/zinc/14/83/20/350148320.db2.gz	OVYJLXUFTXAGFB-WPRPVWTQSA-N	-1	0	234.296	0.075	2	30		BCEFRM
C/C=N/[C@@]1([N+](=O)[O-])C=CC=C[C@H]1C(=O)[O-]	ZINC000205417041	368414365	/nfs/dbraw/zinc/41/43/65/368414365.db2.gz	VLLYGSXYSFYWRE-ACCHFLCISA-N	-1	0	210.189	0.877	2	30		BCEFRM
C[C@H](CS)C(=O)N1C[C@@H](C)C[C@H]1C(=O)[O-]	ZINC000040640044	177309138	/nfs/dbraw/zinc/30/91/38/177309138.db2.gz	YNKXJXHTBURJHD-RNJXMRFFSA-N	-1	0	231.317	0.874	1	30		BCEFRM
CCC(=O)N(O)C[C@@H]1C[C@H]1[P@@](=O)([O-])O	ZINC000013686196	168213699	/nfs/dbraw/zinc/21/36/99/168213699.db2.gz	HHEIMEHJOWXXGX-NTSWFWBYSA-N	-1	0	223.165	0.180	1	30		BCEFRM
CCOC(=O)C(=CNCC(=O)[O-])C(=O)OCC	ZINC000103350321	170183579	/nfs/dbraw/zinc/18/35/79/170183579.db2.gz	ZWSOAGVZRVIIKX-SWTGVTSMSA-N	-1	0	245.231	0.511	1	30		BCEFRM
CCc1nnc([N-]N=C(C#N)C#N)s1	ZINC000103217708	172060252	/nfs/dbraw/zinc/06/02/52/172060252.db2.gz	WVAKDHXXKLUVPI-UHFFFAOYSA-N	-1	0	206.234	0.916	1	30		BCEFRM
C[C@H]1CC/C(=N\O)c2ncc(C(=O)[O-])c(=O)n21	ZINC000029306214	177067874	/nfs/dbraw/zinc/06/78/74/177067874.db2.gz	RMNISFQZZDUAAF-CLHOOFQXSA-N	-1	0	237.215	0.475	1	30		BCEFRM
CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028757367	188283955	/nfs/dbraw/zinc/28/39/55/188283955.db2.gz	WOYLBXUCZPJYOV-RVJQKOHUSA-N	-1	0	233.314	0.432	1	30		BCEFRM
NC(N)=CCCSC[C@H](CS)C(=O)[O-]	ZINC000027626789	181322836	/nfs/dbraw/zinc/32/28/36/181322836.db2.gz	CCERQBAQGHKARC-LURJTMIESA-N	-1	0	236.362	0.499	1	30		BCEFRM
C/C=N/[C@]1([N+](=O)[O-])C=CC=C[C@@H]1C(=O)[O-]	ZINC000205417004	368414426	/nfs/dbraw/zinc/41/44/26/368414426.db2.gz	VLLYGSXYSFYWRE-GTCJAQDVSA-N	-1	0	210.189	0.877	2	30		BCEFRM
CC(=O)C(=NN=c1[n-]nc(C)s1)C(C)=O	ZINC000103217693	187291873	/nfs/dbraw/zinc/29/18/73/187291873.db2.gz	KXJMUCYJWFTEQG-UHFFFAOYSA-N	-1	0	226.261	0.792	1	30		BCEFRM
C#Cc1c(COP(=O)([O-])[O-])cnc(C)c1O	ZINC000169337844	188252314	/nfs/dbraw/zinc/25/23/14/188252314.db2.gz	XSGSFWYMPRUUOO-UHFFFAOYSA-N	-1	0	243.155	0.686	1	30		BCEFRM
CC(=O)N(O)CC[C@H](F)[P@@](=O)([O-])O	ZINC000049051661	188297504	/nfs/dbraw/zinc/29/75/04/188297504.db2.gz	LXMBBBNKSQVBEO-RXMQYKEDSA-N	-1	0	215.117	0.088	1	30		BCEFRM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)[C@H]1C=C[C@@H]2CC1	ZINC000017248995	181062503	/nfs/dbraw/zinc/06/25/03/181062503.db2.gz	FAGSLJFCHIOLDZ-IVQVNHIISA-N	-1	0	227.223	0.259	1	30		BCEFRM
CCC[C@@H](CCN(O)C(C)=O)[P@@](=O)([O-])O	ZINC000013644209	169381849	/nfs/dbraw/zinc/38/18/49/169381849.db2.gz	JTGWCTDCLRMUIK-QMMMGPOBSA-N	-1	0	239.208	0.961	1	30		BCEFRM
COCCN(CC(=O)[O-])C(=O)[C@H](C)CS	ZINC000027722955	174285897	/nfs/dbraw/zinc/28/58/97/174285897.db2.gz	TZTHZQINDIJPGY-SSDOTTSWSA-N	-1	0	235.305	0.112	1	30		BCEFRM
COc1ccc(NN=C(C#N)c2nnn[n-]2)cc1	ZINC000103274110	175138945	/nfs/dbraw/zinc/13/89/45/175138945.db2.gz	IDRRUTXJGFVWPM-UKTHLTGXSA-N	-1	0	243.230	0.548	1	30		BCEFRM
N#Cc1ccnc(C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000005541153	187247437	/nfs/dbraw/zinc/24/74/37/187247437.db2.gz	JAHFPJMOBOGBKU-JTQLQIEISA-N	-1	0	245.238	0.642	1	30		BCEFRM
CON(C)[C@@](O)(N[C@@H](C)C=O)OC(C)(C)C	ZINC000205431624	350148335	/nfs/dbraw/zinc/14/83/35/350148335.db2.gz	OVYJLXUFTXAGFB-WCBMZHEXSA-N	-1	0	234.296	0.075	2	30		BCEFRM
N#CC(=NNc1ccc(F)cc1)c1nnn[n-]1	ZINC000103272332	181025449	/nfs/dbraw/zinc/02/54/49/181025449.db2.gz	JNXXFTNBOWGMKV-MDWZMJQESA-N	-1	0	231.194	0.679	1	30		BCEFRM
O=c1cn[n-]c(N/N=C\c2cccs2)n1	ZINC000015923629	183006691	/nfs/dbraw/zinc/00/66/91/183006691.db2.gz	JWZRAWWJPVPPST-WTKPLQERSA-N	-1	0	221.245	0.672	1	30		BCEFRM
CCC(=O)N(O)CCC[P@@](=O)([O-])O	ZINC000096273656	168213496	/nfs/dbraw/zinc/21/34/96/168213496.db2.gz	WKIFNQPSYJPTSA-UHFFFAOYSA-N	-1	0	211.154	0.182	1	30		BCEFRM
CN1CCSC1=NC(=O)CCC(=O)[O-]	ZINC000001845174	173109463	/nfs/dbraw/zinc/10/94/63/173109463.db2.gz	BJLULHPWVYLSSI-HJWRWDBZSA-N	-1	0	216.262	0.412	1	30		BCEFRM
C=CCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000064528017	166387306	/nfs/dbraw/zinc/38/73/06/166387306.db2.gz	LBPIEBOZVYOCPQ-XAVMHZPKSA-N	-1	0	225.244	0.167	1	30		BCEFRM
C[C@@H](CS)C(=O)N1C[C@H](F)C[C@H]1C(=O)[O-]	ZINC000027996521	175764378	/nfs/dbraw/zinc/76/43/78/175764378.db2.gz	ZSYUMGSQIAWFIW-XVMARJQXSA-N	-1	0	235.280	0.576	1	30		BCEFRM
CC(=O)N(O)[C@H]1CC[C@H]([P@@](=O)([O-])O)C1	ZINC000013644106	187251361	/nfs/dbraw/zinc/25/13/61/187251361.db2.gz	BVFGMYZIZBWGSZ-BQBZGAKWSA-N	-1	0	223.165	0.323	1	30		BCEFRM
CC(=O)OCCc1cccnc1/C=N/O	ZINC000017213290	187251962	/nfs/dbraw/zinc/25/19/62/187251962.db2.gz	XIGOXJUXTSVWBQ-KPKJPENVSA-N	-1	0	208.217	0.995	1	30		BCEFRM
CC(=O)N(O)C[C@H](C)C[P@@](=O)([O-])O	ZINC000013644048	188280198	/nfs/dbraw/zinc/28/01/98/188280198.db2.gz	IHWCDDPJHBMTAV-YFKPBYRVSA-N	-1	0	211.154	0.038	1	30		BCEFRM
N#Cc1cc(-c2ccncc2)c(CO)[n-]c1=O	ZINC000026716072	181081720	/nfs/dbraw/zinc/08/17/20/181081720.db2.gz	JMDVFNJHUBQULS-UHFFFAOYSA-N	-1	0	227.223	0.801	1	30		BCEFRM
O=C1CN(Cc2ccccc2)CC(=O)N1[O-]	ZINC000028819202	182762311	/nfs/dbraw/zinc/76/23/11/182762311.db2.gz	REVOIXBUQBFJHP-UHFFFAOYSA-N	-1	0	220.228	0.247	1	30		BCEFRM
C=CCCNC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@H]1C(=O)[O-]	ZINC000064527258	166267382	/nfs/dbraw/zinc/26/73/82/166267382.db2.gz	UUOKXHJKTBMGGI-XFWSIPNHSA-N	-1	0	239.271	0.557	1	30		BCEFRM
COC(=O)C[C@H]1C(C(=O)[O-])=CO[C@@H](C)[C@@H]1C=O	ZINC000085530710	560073439	/nfs/dbraw/zinc/07/34/39/560073439.db2.gz	JFWVMXPACNWBCB-RNJXMRFFSA-N	-1	0	242.227	0.368	1	30	biogenic,in-vitro	BCEFRM
N#Cc1c(=O)[n-]c(=O)[nH]c1NCc1cccnc1	ZINC000027893939	187255818	/nfs/dbraw/zinc/25/58/18/187255818.db2.gz	VPIOAZJZCJDKLT-UHFFFAOYSA-N	-1	0	243.226	0.767	1	30		BCEFRM
O=C1C(=O)C([N+](=O)[O-])=C([O-])c2cccc(O)c21	ZINC000039215344	187262799	/nfs/dbraw/zinc/26/27/99/187262799.db2.gz	JXXAOQQXFMHDTO-UHFFFAOYSA-N	-1	0	235.151	0.818	1	30		BCEFRM
Cc1nc(NCc2ccccn2)c(C#N)c(=O)[n-]1	ZINC000027902636	180020485	/nfs/dbraw/zinc/02/04/85/180020485.db2.gz	IICCUKKNFQNQHV-UHFFFAOYSA-N	-1	0	241.254	0.957	1	30		BCEFRM
CCCC(=O)CC([O-])=C1C(=O)COC1=O	ZINC000169309525	188338210	/nfs/dbraw/zinc/33/82/10/188338210.db2.gz	UBGUJQIHQQCXDZ-UHFFFAOYSA-N	-1	0	212.201	0.684	1	30		BCEFRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCS	ZINC000027845222	182509759	/nfs/dbraw/zinc/50/97/59/182509759.db2.gz	BVZYKKDAVOLRMJ-HTQZYQBOSA-N	-1	0	231.317	0.923	1	30		BCEFRM
C=CCNC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000064528018	166391746	/nfs/dbraw/zinc/39/17/46/166391746.db2.gz	LBPIEBOZVYOCPQ-XGEHTFHBSA-N	-1	0	225.244	0.167	1	30		BCEFRM
C=CCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@H]1C(=O)[O-]	ZINC000064528019	166391919	/nfs/dbraw/zinc/39/19/19/166391919.db2.gz	LBPIEBOZVYOCPQ-BZNPZCIMSA-N	-1	0	225.244	0.167	1	30		BCEFRM
N#Cc1cccc(-n2[n-]c(=O)ccc2=O)c1	ZINC000001633661	188274219	/nfs/dbraw/zinc/27/42/19/188274219.db2.gz	IZHOUMYYTKVAJI-UHFFFAOYSA-N	-1	0	213.196	0.397	1	30		BCEFRM
N#Cc1c(-c2ccc(O)cc2)nc(N)[n-]c1=O	ZINC000042964586	181071514	/nfs/dbraw/zinc/07/15/14/181071514.db2.gz	UDYLYLYSBYLZEO-UHFFFAOYSA-N	-1	0	228.211	0.596	1	30		BCEFRM
C=CCCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@H]1C(=O)[O-]	ZINC000064527257	166267154	/nfs/dbraw/zinc/26/71/54/166267154.db2.gz	UUOKXHJKTBMGGI-UTINFBMNSA-N	-1	0	239.271	0.557	1	30		BCEFRM
COc1ccc2c(c1)[C@@H]([C@H](C#N)C(=O)[O-])C(=O)N2	ZINC000100786842	175214448	/nfs/dbraw/zinc/21/44/48/175214448.db2.gz	QXFBITQSWAVKIS-WPRPVWTQSA-N	-1	0	246.222	0.955	1	30		BCEFRM
C[C@@H]1CC/C(=N\O)c2ncc(C(=O)[O-])c(=O)n21	ZINC000029306208	176057254	/nfs/dbraw/zinc/05/72/54/176057254.db2.gz	RMNISFQZZDUAAF-KBTGXMLFSA-N	-1	0	237.215	0.475	1	30		BCEFRM
NC(N=O)NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000038467575	181200000	/nfs/dbraw/zinc/20/00/00/181200000.db2.gz	QNASNZQWAUVEOE-ONNFQVAWSA-N	-1	0	239.191	0.137	1	30		BCEFRM
NC(N)=CCCSC[C@@H](CS)C(=O)[O-]	ZINC000027626784	181322883	/nfs/dbraw/zinc/32/28/83/181322883.db2.gz	CCERQBAQGHKARC-ZCFIWIBFSA-N	-1	0	236.362	0.499	1	30		BCEFRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)CS)C1	ZINC000027994315	174772091	/nfs/dbraw/zinc/77/20/91/174772091.db2.gz	OZQDXPGTLSYASQ-PRJMDXOYSA-N	-1	0	247.316	0.253	1	30		BCEFRM
Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nnn[n-]2)n1	ZINC000028259221	178270378	/nfs/dbraw/zinc/27/03/78/178270378.db2.gz	AIGZZHBFANHOHH-UHFFFAOYSA-N	-1	0	249.190	0.448	1	30		BCEFRM
CON(C)[C@](O)(N[C@H](C)C=O)OC(C)(C)C	ZINC000205431659	350148245	/nfs/dbraw/zinc/14/82/45/350148245.db2.gz	OVYJLXUFTXAGFB-SCZZXKLOSA-N	-1	0	234.296	0.075	2	30		BCEFRM
CC(Nc1ccccc1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000103235843	188150755	/nfs/dbraw/zinc/15/07/55/188150755.db2.gz	GVKSLYOTNCFYIR-NTUHNPAUSA-N	-1	0	245.238	0.761	1	30		BCEFRM
CC(C)[C@H](NC(=O)CCS)C(=O)[O-]	ZINC000013590071	188105877	/nfs/dbraw/zinc/10/58/77/188105877.db2.gz	FAPDIFQKAUWYTG-ZETCQYMHSA-N	-1	0	205.279	0.532	1	30		BCEFRM
COC1=CC(=CC(=O)C(=O)[O-])OC(=O)C1	ZINC000025977088	174012782	/nfs/dbraw/zinc/01/27/82/174012782.db2.gz	IOOLITKHGZBQCD-ZZXKWVIFSA-N	-1	0	212.157	0.484	1	30		BCEFRM
Cc1ccccc1NN=C(C#N)c1nnn[n-]1	ZINC000103274098	179295537	/nfs/dbraw/zinc/29/55/37/179295537.db2.gz	QAAAQXFCNRTIHR-UKTHLTGXSA-N	-1	0	227.231	0.848	1	30		BCEFRM
O=C1c2c(O)c(O)cc(O)c2C(=O)C(O)=C1[O-]	ZINC000014647671	187391200	/nfs/dbraw/zinc/39/12/00/187391200.db2.gz	HYVDWYISUNRFCU-UHFFFAOYSA-N	-1	0	238.151	0.510	1	30		BCEFRM
CC1=NN(C(=O)CCS)[C@H](C(=O)[O-])S1	ZINC000027517923	187764680	/nfs/dbraw/zinc/76/46/80/187764680.db2.gz	FPUPDLVYOPDTSL-LURJTMIESA-N	-1	0	234.302	0.626	1	30		BCEFRM
C=C(Cl)C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000013808477	188585925	/nfs/dbraw/zinc/58/59/25/188585925.db2.gz	YGEYFVSHLFSOFT-RITPCOANSA-N	-1	0	221.640	0.632	1	30		BCEFRM
N#Cc1cccc(NC(=O)C[P@](=O)([O-])O)c1	ZINC000096907991	181140584	/nfs/dbraw/zinc/14/05/84/181140584.db2.gz	GTWLUASQALKOIE-UHFFFAOYSA-N	-1	0	240.155	0.674	1	30		BCEFRM
C/C=N/[C@]1([N+](=O)[O-])C=CC=C[C@H]1C(=O)[O-]	ZINC000205417032	368414498	/nfs/dbraw/zinc/41/44/98/368414498.db2.gz	VLLYGSXYSFYWRE-ONBNEHBNSA-N	-1	0	210.189	0.877	2	30		BCEFRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCS	ZINC000013826118	182198424	/nfs/dbraw/zinc/19/84/24/182198424.db2.gz	BVZYKKDAVOLRMJ-JGVFFNPUSA-N	-1	0	231.317	0.923	1	30		BCEFRM
O=S(=O)([O-])ON1CC=Cc2cccc(O)c21	ZINC000086864074	182902722	/nfs/dbraw/zinc/90/27/22/182902722.db2.gz	FOEWLONGJYWWQR-UHFFFAOYSA-N	-1	0	243.240	0.960	2	30		BCEFRM
COC(=O)c1cccc(NC(=O)C(=O)[O-])c1C#N	ZINC000027857112	173895856	/nfs/dbraw/zinc/89/58/56/173895856.db2.gz	FPPYGWNIMWAJIX-UHFFFAOYSA-N	-1	0	248.194	0.368	1	30		BCEFRM
CSC[C@H](OC(=O)[C@H](C)CS)C(=O)[O-]	ZINC000001555146	175528425	/nfs/dbraw/zinc/52/84/25/175528425.db2.gz	LFBBWVTUUAFKIO-RITPCOANSA-N	-1	0	238.330	0.912	1	30		BCEFRM
C[C@H](CS)C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)[O-]	ZINC000026249401	581094748	/nfs/dbraw/zinc/09/47/48/581094748.db2.gz	AFFACDSDWPAZOM-KVPKETBZSA-N	-1	0	229.301	0.626	1	30		BCEFRM
CC(C)CC(=O)N(O)CCC[P@@](=O)([O-])O	ZINC000013644087	188105656	/nfs/dbraw/zinc/10/56/56/188105656.db2.gz	BHWAEDFCZWJJJK-UHFFFAOYSA-N	-1	0	239.208	0.818	1	30		BCEFRM
CC(=O)C(N=Nc1c(C)n[nH]c1C)C(=O)[O-]	ZINC000064573369	188129935	/nfs/dbraw/zinc/12/99/35/188129935.db2.gz	ZDXJATWLKGRPOA-JYRVWZFOSA-N	-1	0	224.220	0.468	1	30		BCEFRM
NC(N=O)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000049771509	181199693	/nfs/dbraw/zinc/19/96/93/181199693.db2.gz	DJPJNMSLVDDYOK-ONNFQVAWSA-N	-1	0	239.191	0.137	1	30		BCEFRM
C=CCCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000064527255	166267511	/nfs/dbraw/zinc/26/75/11/166267511.db2.gz	UUOKXHJKTBMGGI-RGOKHQFPSA-N	-1	0	239.271	0.557	1	30		BCEFRM
C=CCNC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@H]1C(=O)[O-]	ZINC000064528020	166387211	/nfs/dbraw/zinc/38/72/11/166387211.db2.gz	LBPIEBOZVYOCPQ-RYPBNFRJSA-N	-1	0	225.244	0.167	1	30		BCEFRM
COCCN(CC(=O)[O-])C(=O)[C@@H](C)CS	ZINC000027722949	174286558	/nfs/dbraw/zinc/28/65/58/174286558.db2.gz	TZTHZQINDIJPGY-ZETCQYMHSA-N	-1	0	235.305	0.112	1	30		BCEFRM
COc1ccc2c(c1)[C@@H]([C@@H](C#N)C(=O)[O-])C(=O)N2	ZINC000013494088	175214831	/nfs/dbraw/zinc/21/48/31/175214831.db2.gz	QXFBITQSWAVKIS-SCZZXKLOSA-N	-1	0	246.222	0.955	1	30		BCEFRM
COc1ccccc1NN=C(C#N)c1nnn[n-]1	ZINC000103274106	175335875	/nfs/dbraw/zinc/33/58/75/175335875.db2.gz	YKNXXQSHUCHGSL-MDWZMJQESA-N	-1	0	243.230	0.548	1	30		BCEFRM
O=S(=O)([O-])ONNc1ccc(Cl)cc1	ZINC000201505002	347900721	/nfs/dbraw/zinc/90/07/21/347900721.db2.gz	BXBCOJIPIQTRAX-UHFFFAOYSA-N	-1	0	238.652	0.991	2	30		BCEFRM
Cc1nc(NCc2ccncc2)c(C#N)c(=O)[n-]1	ZINC000027891533	180020490	/nfs/dbraw/zinc/02/04/90/180020490.db2.gz	AUMVBCJDNDTHSD-UHFFFAOYSA-N	-1	0	241.254	0.957	1	30		BCEFRM
CON(C)[C@@](O)(N[C@H](C)C=O)OC(C)(C)C	ZINC000205431635	350148254	/nfs/dbraw/zinc/14/82/54/350148254.db2.gz	OVYJLXUFTXAGFB-PSASIEDQSA-N	-1	0	234.296	0.075	2	30		BCEFRM
C/C=N/[C@@]1([N+](=O)[O-])C=CC=C[C@@H]1C(=O)[O-]	ZINC000205417016	368414375	/nfs/dbraw/zinc/41/43/75/368414375.db2.gz	VLLYGSXYSFYWRE-IPPZCCLQSA-N	-1	0	210.189	0.877	2	30		BCEFRM
CCOC(=O)C(C#N)=NN=c1[n-]nc(C)s1	ZINC000103217697	170181982	/nfs/dbraw/zinc/18/19/82/170181982.db2.gz	AWKBNYDIIIEHFO-IZZDOVSWSA-N	-1	0	239.260	0.701	1	30		BCEFRM
COc1ccc2c(c1)[C@H]([C@@H](C#N)C(=O)[O-])C(=O)N2	ZINC000100786839	175216901	/nfs/dbraw/zinc/21/69/01/175216901.db2.gz	QXFBITQSWAVKIS-PSASIEDQSA-N	-1	0	246.222	0.955	1	30		BCEFRM
COc1ccc2c(c1)[C@H]([C@H](C#N)C(=O)[O-])C(=O)N2	ZINC000013494090	175217255	/nfs/dbraw/zinc/21/72/55/175217255.db2.gz	QXFBITQSWAVKIS-WCBMZHEXSA-N	-1	0	246.222	0.955	1	30		BCEFRM
N#CC(=NNc1ccccc1F)c1nnn[n-]1	ZINC000103272330	181025437	/nfs/dbraw/zinc/02/54/37/181025437.db2.gz	VXWPIPUHWGYKFQ-MDWZMJQESA-N	-1	0	231.194	0.679	1	30		BCEFRM
N#CNC(=NCC(=O)[O-])Nc1ccc(C#N)cc1	ZINC000026508791	181053398	/nfs/dbraw/zinc/05/33/98/181053398.db2.gz	PZTKTBDKEFKRAE-UHFFFAOYSA-N	-1	0	243.226	0.481	1	30		BCEFRM
NC1=CC(=O)c2nc(-c3ccccn3)[n-]c2C1=O	ZINC000100026675	181337685	/nfs/dbraw/zinc/33/76/85/181337685.db2.gz	HVTCQVWIJORGHX-UHFFFAOYSA-N	-1	0	240.222	0.693	1	30		BCEFRM
C=CCCNC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000064527256	166267334	/nfs/dbraw/zinc/26/73/34/166267334.db2.gz	UUOKXHJKTBMGGI-KATARQTJSA-N	-1	0	239.271	0.557	1	30		BCEFRM
CCn1cc(C(=O)[O-])c(=O)c2c1C(=O)C=CC2=O	ZINC000034588590	172156986	/nfs/dbraw/zinc/15/69/86/172156986.db2.gz	UTQUSZIRFDMXPT-UHFFFAOYSA-N	-1	0	247.206	0.502	1	30		BCEFRM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)CS)C1	ZINC000028005809	174902951	/nfs/dbraw/zinc/90/29/51/174902951.db2.gz	OZQDXPGTLSYASQ-CSMHCCOUSA-N	-1	0	247.316	0.253	1	30		BCEFRM
C=C(C(=O)[O-])[C@H](CCCC(=O)OC)C(=O)OC	ZINC000014438645	560221404	/nfs/dbraw/zinc/22/14/04/560221404.db2.gz	MDFIHAYHEBXNCC-QMMMGPOBSA-N	-1	0	244.243	0.760	1	30	in-vitro	BCEFRM