smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/N=C1/SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000101603845	402150659	/nfs/dbraw/zinc/15/06/59/402150659.db2.gz	VXRDSVQVFVQVQE-FIKMJJSBSA-N	0	2	311.794	2.228	40	30		DEEBLN
C/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000101603845	402150661	/nfs/dbraw/zinc/15/06/61/402150661.db2.gz	VXRDSVQVFVQVQE-FIKMJJSBSA-N	0	2	311.794	2.228	40	30		DEEBLN
O=C(C=Cc1c(=O)[nH]c2ncccc2c1O)c1ccc(O)cc1	ZINC000006025557	181306943	/nfs/dbraw/zinc/30/69/43/181306943.db2.gz	YQUBTJNVIFVWSP-BQYQJAHWSA-N	0	2	308.293	2.230	40	30		DEEBLN
C/N=C1/NC(=O)C(CC(=O)Nc2c(C)cc(C)cc2C)S1	ZINC000004980139	181183549	/nfs/dbraw/zinc/18/35/49/181183549.db2.gz	ZMBJTRKWDXFDFT-LLVKDONJSA-N	0	2	305.403	2.158	40	30		DEEBLN
C/N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)S1	ZINC000004980139	181183552	/nfs/dbraw/zinc/18/35/52/181183552.db2.gz	ZMBJTRKWDXFDFT-LLVKDONJSA-N	0	2	305.403	2.158	40	30		DEEBLN
O=C(C=Cc1c(=O)[nH]c2ncccc2c1O)Cc1ccccc1	ZINC000006694644	181370667	/nfs/dbraw/zinc/37/06/67/181370667.db2.gz	OGKHWVOPJOUYJN-CMDGGOBGSA-N	0	2	306.321	2.454	40	30		DEEBLN
O=[N+]([O-])c1cccnc1N=NCc1ccc(O)c([N+](=O)[O-])c1	ZINC000408961799	227249010	/nfs/dbraw/zinc/24/90/10/227249010.db2.gz	FEHKVYRBZNWFSE-VGOFMYFVSA-N	0	2	303.234	2.050	40	30		DEEBLN
O/N=C/c1nnc2sc(-c3ccc(/C=N/O)c(Cl)c3)nn12	ZINC000041127189	401927898	/nfs/dbraw/zinc/92/78/98/401927898.db2.gz	JBQHNXBETNAMNJ-PCSLFHOQSA-N	0	2	322.737	2.122	40	30		DEEBLN
CCn1c(=O)c(/C=N/C2=NCCS2)c(O)c2ccccc21	ZINC000100192903	402140305	/nfs/dbraw/zinc/14/03/05/402140305.db2.gz	RWMWHLBNEOBGNT-RQZCQDPDSA-N	0	2	301.371	2.249	40	30		DEEBLN
Cc1ccc(S(=O)(=O)N=C(O)NNc2ccc(F)cc2)cc1	ZINC000001857852	401711075	/nfs/dbraw/zinc/71/10/75/401711075.db2.gz	LRIYKBIMNVLNTR-UHFFFAOYSA-N	0	2	323.349	2.354	40	30		DEEBLN
CC(C)(C)c1nnc(NN=Cc2c[nH]c3ccccc23)[nH]c1=O	ZINC000016777012	182060216	/nfs/dbraw/zinc/06/02/16/182060216.db2.gz	UJRKOIVGFGZQHI-GIJQJNRQSA-N	0	2	310.361	2.390	40	30		DEEBLN
C#CNc1nc(C)cc(-c2c(O)c3ccccc3n(C)c2=O)n1	ZINC000101631682	277699938	/nfs/dbraw/zinc/69/99/38/277699938.db2.gz	ZRXOMLXNCAUDRR-UHFFFAOYSA-N	0	2	306.325	2.012	40	30		DEEBLN
Cc1ccc(S(=O)(=O)N/N=C/C(=N\O)c2ccccc2)cc1	ZINC000005545465	181255402	/nfs/dbraw/zinc/25/54/02/181255402.db2.gz	MCBDQSMUIVNLBO-HQJKSCAWSA-N	0	2	317.370	2.138	40	30		DEEBLN
C[C@@H]1Cc2ccccc2N1C1=NC2(CCCC2)[C@@H](C#N)C(=O)N1	ZINC000014608376	401812925	/nfs/dbraw/zinc/81/29/25/401812925.db2.gz	RXONWEYRZJIXMA-OCCSQVGLSA-N	0	2	308.385	2.376	40	30		DEEBLN
CCOC(=O)C1=C(O)C(Nc2ccccc2)=C(C(=O)OCC)C1	ZINC000004683270	181136529	/nfs/dbraw/zinc/13/65/29/181136529.db2.gz	BCXHWLRGPPABRC-VJXYMYKGSA-N	0	2	317.341	2.091	40	30		DEEBLN
C=CC/N=C1\S[C@H](CC)C(=O)N1S(=O)(=O)c1ccccc1	ZINC000004426551	518683875	/nfs/dbraw/zinc/68/38/75/518683875.db2.gz	MLGWVPODBLLNEA-DKASORFFSA-N	0	2	324.427	2.271	40	30		DEEBLN
C=CC/N=C1\SC(CC)C(=O)N1S(=O)(=O)c1ccccc1	ZINC000004426551	518683876	/nfs/dbraw/zinc/68/38/76/518683876.db2.gz	MLGWVPODBLLNEA-DKASORFFSA-N	0	2	324.427	2.271	40	30		DEEBLN
O=C(C=Cc1c(=O)[nH]c2ncccc2c1O)c1ccccc1O	ZINC000006382965	181335851	/nfs/dbraw/zinc/33/58/51/181335851.db2.gz	JCVVCLLMMPPFTM-BQYQJAHWSA-N	0	2	308.293	2.230	40	30		DEEBLN
CCOC(=O)C1=C(SC)NC(=O)C(C#N)C12CCCCC2	ZINC000003625091	181042390	/nfs/dbraw/zinc/04/23/90/181042390.db2.gz	OOEARXVERAYHCN-SNVBAGLBSA-N	0	2	308.403	2.344	40	30		DEEBLN
CCOC(=O)C1=C(SC)NC(=O)[C@@H](C#N)C12CCCCC2	ZINC000003625091	181042392	/nfs/dbraw/zinc/04/23/92/181042392.db2.gz	OOEARXVERAYHCN-SNVBAGLBSA-N	0	2	308.403	2.344	40	30		DEEBLN
C/N=C1/NC(=O)C(CC(=O)Nc2c(C)cc(C)cc2C)S1	ZINC000004980140	181183518	/nfs/dbraw/zinc/18/35/18/181183518.db2.gz	ZMBJTRKWDXFDFT-NSHDSACASA-N	0	2	305.403	2.158	40	30		DEEBLN
C/N=C1/NC(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S1	ZINC000004980140	181183521	/nfs/dbraw/zinc/18/35/21/181183521.db2.gz	ZMBJTRKWDXFDFT-NSHDSACASA-N	0	2	305.403	2.158	40	30		DEEBLN
N/C(=N\O)c1cc(Br)c(O)c(Br)c1	ZINC000008376389	303219314	/nfs/dbraw/zinc/21/93/14/303219314.db2.gz	OZHZBVZXGAYUFT-UHFFFAOYSA-N	0	2	309.945	2.012	40	30		DEEBLN
N#Cc1cn(-c2c3ccccc3[nH+]c3ccccc32)c(=O)[n-]c1=O	ZINC000005594133	256519246	/nfs/dbraw/zinc/51/92/46/256519246.db2.gz	QQLHXMPAXNMATQ-UHFFFAOYSA-N	0	2	314.304	2.099	40	30		DEEBLN
C[C@H]1Cc2ccccc2N1C1=NC2(CCCC2)[C@H](C#N)C(=O)N1	ZINC000014608375	291170153	/nfs/dbraw/zinc/17/01/53/291170153.db2.gz	RXONWEYRZJIXMA-GXTWGEPZSA-N	0	2	308.385	2.376	40	30		DEEBLN
CCOC(=O)C1=C(SC)NC(=O)C(C#N)C12CCCCC2	ZINC000002492206	401714153	/nfs/dbraw/zinc/71/41/53/401714153.db2.gz	OOEARXVERAYHCN-JTQLQIEISA-N	0	2	308.403	2.344	40	30		DEEBLN
CCOC(=O)C1=C(SC)NC(=O)[C@H](C#N)C12CCCCC2	ZINC000002492206	401714157	/nfs/dbraw/zinc/71/41/57/401714157.db2.gz	OOEARXVERAYHCN-JTQLQIEISA-N	0	2	308.403	2.344	40	30		DEEBLN
Cc1[nH][nH]c(=O)c1[C@@H](c1c(F)cccc1Cl)C(C#N)C#N	ZINC000103769550	402193693	/nfs/dbraw/zinc/19/36/93/402193693.db2.gz	KEJQJTGDWZPGHG-RYUDHWBXSA-N	0	2	304.712	2.348	40	30		DEEBLN
C/C(=N\CCO)c1c(O)c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370457	402140941	/nfs/dbraw/zinc/14/09/41/402140941.db2.gz	MEOWNWXTDQCJPJ-DEDYPNTBSA-N	0	2	322.364	2.498	40	30		DEEBLN
CCc1n[nH]c(=S)n1N=Cc1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000020164010	333308637	/nfs/dbraw/zinc/30/86/37/333308637.db2.gz	JZCIZXREOZVTQN-AWNIVKPZSA-N	0	2	323.334	2.008	40	30		DEEBLN
CCOC(=O)C1=C(O)C(Nc2ccccc2)=C(C(=O)OCC)C1	ZINC000100335556	193798315	/nfs/dbraw/zinc/79/83/15/193798315.db2.gz	BCXHWLRGPPABRC-PWCSFYDTSA-N	0	2	317.341	2.091	40	30		DEEBLN
COc1ccccc1CN/N=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000020761279	333385396	/nfs/dbraw/zinc/38/53/96/333385396.db2.gz	ZITKFLOGMZCUCI-CXUHLZMHSA-N	0	2	301.302	2.433	40	30		DEEBLN
CCOC(=O)C1=C(O)C(Nc2ccccc2)=C(C(=O)OCC)C1	ZINC000100335560	402141028	/nfs/dbraw/zinc/14/10/28/402141028.db2.gz	BCXHWLRGPPABRC-OMXZIVNTSA-N	0	2	317.341	2.091	40	30		DEEBLN
C/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C	ZINC000004699138	181139176	/nfs/dbraw/zinc/13/91/76/181139176.db2.gz	JRADOODQGZFEPY-ZSNVJIKNSA-N	0	2	311.794	2.228	40	30		DEEBLN
C/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C	ZINC000004699138	181139177	/nfs/dbraw/zinc/13/91/77/181139177.db2.gz	JRADOODQGZFEPY-ZSNVJIKNSA-N	0	2	311.794	2.228	40	30		DEEBLN
O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc1	ZINC000016385655	331566782	/nfs/dbraw/zinc/56/67/82/331566782.db2.gz	SXPRPUGIRHGGHA-NSIKDUERSA-N	0	2	303.234	2.050	40	30		DEEBLN
O=[N+]([O-])C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681934	185383180	/nfs/dbraw/zinc/38/31/80/185383180.db2.gz	YKZQLVNLDJUWPJ-REOHCLBHSA-N	0	2	309.084	2.092	40	30		DEEBLN
Cc1ccc(S(=O)(=O)NC/C(=N/O)c2ccccc2)cc1	ZINC000006214503	181319713	/nfs/dbraw/zinc/31/97/13/181319713.db2.gz	BAPORXGNVYXSML-ICFOKQHNSA-N	0	2	304.371	2.152	40	30		DEEBLN
COc1ccc(/C(CNC(=O)OC(C)(C)C)=N/O)c(OC)c1	ZINC000012357091	401783921	/nfs/dbraw/zinc/78/39/21/401783921.db2.gz	FUHBRBIMEJUOSB-SFQUDFHCSA-N	0	2	310.350	2.407	40	30		DEEBLN
C=CCN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	ZINC000409133918	526405899	/nfs/dbraw/zinc/40/58/99/526405899.db2.gz	NVNNFKWOGAMQEW-WEVVVXLNSA-N	0	2	323.692	2.033	40	30		DEEBLN
CCn1nc(C)c(S(=O)(=O)Nc2ccc(C#N)cc2)c1C	ZINC000028577435	401852855	/nfs/dbraw/zinc/85/28/55/401852855.db2.gz	KIGLVOMSQOQSCA-UHFFFAOYSA-N	0	2	304.375	2.192	40	30		DEEBLN
C[C@H]1Cc2ccccc2N1C1=NC2(CCCC2)[C@@H](C#N)C(=O)N1	ZINC000014608377	291170291	/nfs/dbraw/zinc/17/02/91/291170291.db2.gz	RXONWEYRZJIXMA-JSGCOSHPSA-N	0	2	308.385	2.376	40	30		DEEBLN
O=[N+]([O-])c1cccc(CN=Nc2ncccc2[N+](=O)[O-])c1O	ZINC000409108526	227249775	/nfs/dbraw/zinc/24/97/75/227249775.db2.gz	WMCDLXFFGQBHCF-VGOFMYFVSA-N	0	2	303.234	2.050	40	30		DEEBLN
O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)N=Cc1c(O)ccc2ccccc21	ZINC000034762318	527648402	/nfs/dbraw/zinc/64/84/02/527648402.db2.gz	VNUQLWYTGZQBME-VTNJTDAWSA-N	0	2	309.325	2.383	40	30		DEEBLN
O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)N=Cc1c(O)ccc2ccccc21	ZINC000034762318	527648406	/nfs/dbraw/zinc/64/84/06/527648406.db2.gz	VNUQLWYTGZQBME-VTNJTDAWSA-N	0	2	309.325	2.383	40	30		DEEBLN
CCOC(=O)C1=C(O)C(Nc2ccccc2)=C(C(=O)OCC)C1	ZINC000017147790	182077099	/nfs/dbraw/zinc/07/70/99/182077099.db2.gz	BCXHWLRGPPABRC-DTBJURTMSA-N	0	2	317.341	2.091	40	30		DEEBLN
CCCCC1=C(O)c2ccccc2C(=NNC(N)=S)C1=O	ZINC000018251935	401821817	/nfs/dbraw/zinc/82/18/17/401821817.db2.gz	HPXRYRMITFPDFP-ATVHPVEESA-N	0	2	303.387	2.423	40	30		DEEBLN
CCCCC1=C(O)c2ccccc2C(=NNC(N)=S)C1=O	ZINC000104230781	402201634	/nfs/dbraw/zinc/20/16/34/402201634.db2.gz	HPXRYRMITFPDFP-SFQUDFHCSA-N	0	2	303.387	2.423	40	30		DEEBLN
ON=Cc1cc(Br)c(I)o1	ZINC000408949822	403825472	/nfs/dbraw/zinc/82/54/72/403825472.db2.gz	CKGXPIMJALMQMX-UHFFFAOYSA-N	0	2	315.892	2.455	40	30		DEEBLN
O=[N+]([O-])c1ccc(N=NCc2ccc(O)c([N+](=O)[O-])c2)nc1	ZINC000408750750	227246759	/nfs/dbraw/zinc/24/67/59/227246759.db2.gz	RHKHESWMUHBTQH-NSIKDUERSA-N	0	2	303.234	2.050	40	30		DEEBLN
O=[N+]([O-])c1ccc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)nc1	ZINC000408750750	227246770	/nfs/dbraw/zinc/24/67/70/227246770.db2.gz	RHKHESWMUHBTQH-NSIKDUERSA-N	0	2	303.234	2.050	40	30		DEEBLN
C=CCOc1cc(N(CC)CC)ccc1C=[NH+][N-]c1nn[nH]n1	ZINC000006386891	181336449	/nfs/dbraw/zinc/33/64/49/181336449.db2.gz	HNPGAQVXJQQBCK-LFIBNONCSA-N	0	2	315.381	2.057	40	30		DEEBLN
C=CCOc1cc(N(CC)CC)ccc1CN=Nc1nn[nH]n1	ZINC000006386891	181336453	/nfs/dbraw/zinc/33/64/53/181336453.db2.gz	HNPGAQVXJQQBCK-LFIBNONCSA-N	0	2	315.381	2.057	40	30		DEEBLN
Cc1ccc(S(=O)(=O)N=C(O)NC2[C@@H]3CCCC[C@H]23)cc1	ZINC000018060857	182091418	/nfs/dbraw/zinc/09/14/18/182091418.db2.gz	JIRRNKIYARHKRO-PBWFPOADSA-N	0	2	308.403	2.376	40	30		DEEBLN
Cc1[nH][nH]c(=O)c1[C@H](c1c(F)cccc1Cl)C(C#N)C#N	ZINC000103769560	193959353	/nfs/dbraw/zinc/95/93/53/193959353.db2.gz	KEJQJTGDWZPGHG-VXGBXAGGSA-N	0	2	304.712	2.348	40	30		DEEBLN
C/N=C1/SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000101603851	402150757	/nfs/dbraw/zinc/15/07/57/402150757.db2.gz	VXRDSVQVFVQVQE-NIZNLAEJSA-N	0	2	311.794	2.228	40	30		DEEBLN
C/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000101603851	402150760	/nfs/dbraw/zinc/15/07/60/402150760.db2.gz	VXRDSVQVFVQVQE-NIZNLAEJSA-N	0	2	311.794	2.228	40	30		DEEBLN
O=[N+]([O-])c1ccc(NN=Cc2cc(O)ccc2[N+](=O)[O-])nc1	ZINC000038570251	183003216	/nfs/dbraw/zinc/00/32/16/183003216.db2.gz	RHBWFBHOLGACGS-MKMNVTDBSA-N	0	2	303.234	2.050	40	30		DEEBLN
O=[N+]([O-])c1ccc(N=NCc2cc(O)ccc2[N+](=O)[O-])nc1	ZINC000038570251	183003220	/nfs/dbraw/zinc/00/32/20/183003220.db2.gz	RHBWFBHOLGACGS-MKMNVTDBSA-N	0	2	303.234	2.050	40	30		DEEBLN
CN1c2ccccc2[C@@](O)(CC(=O)C=C(O)c2ccccc2)C1=O	ZINC000101641121	402152118	/nfs/dbraw/zinc/15/21/18/402152118.db2.gz	VNKCEBWJFQGKMQ-XGHXRCDJSA-N	0	2	323.348	2.409	40	30		DEEBLN
CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)/C1=N/O	ZINC000100500956	281701069	/nfs/dbraw/zinc/70/10/69/281701069.db2.gz	GJOIQDZMZMNMLX-CXUHLZMHSA-N	0	2	316.195	2.166	40	30		DEEBLN
CCn1nc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1C	ZINC000072239128	191083131	/nfs/dbraw/zinc/08/31/31/191083131.db2.gz	MTMWRKSQWHLUIK-UHFFFAOYSA-N	0	2	304.375	2.192	40	30		DEEBLN
Cc1ccc(S(=O)(=O)N=C(O)Nc2ccccc2N)cc1	ZINC000066323547	402131128	/nfs/dbraw/zinc/13/11/28/402131128.db2.gz	MKXDHAWDENXTMN-UHFFFAOYSA-N	0	2	305.359	2.292	40	30		DEEBLN
CN1c2ccccc2[C@](O)(CC(=O)C=C(O)c2ccccc2)C1=O	ZINC000101641113	402152649	/nfs/dbraw/zinc/15/26/49/402152649.db2.gz	VNKCEBWJFQGKMQ-DPWKNNTCSA-N	0	2	323.348	2.409	40	30		DEEBLN
CCNC(=O)C[C@@H]1S/C(=N\c2ccc(C)cc2)N(CC)C1=O	ZINC000018045972	182090326	/nfs/dbraw/zinc/09/03/26/182090326.db2.gz	BBJCMPPRHXMQMT-VDMFXUGISA-N	0	2	319.430	2.473	40	30		DEEBLN
CCNC(=O)CC1S/C(=N\c2ccc(C)cc2)N(CC)C1=O	ZINC000018045972	182090327	/nfs/dbraw/zinc/09/03/27/182090327.db2.gz	BBJCMPPRHXMQMT-VDMFXUGISA-N	0	2	319.430	2.473	40	30		DEEBLN
CCNC(=O)C[C@H]1S/C(=N\c2ccc(C)cc2)N(CC)C1=O	ZINC000013151558	401797320	/nfs/dbraw/zinc/79/73/20/401797320.db2.gz	BBJCMPPRHXMQMT-LTRYHMRKSA-N	0	2	319.430	2.473	40	30		DEEBLN
CCNC(=O)CC1S/C(=N\c2ccc(C)cc2)N(CC)C1=O	ZINC000013151558	401797321	/nfs/dbraw/zinc/79/73/21/401797321.db2.gz	BBJCMPPRHXMQMT-LTRYHMRKSA-N	0	2	319.430	2.473	40	30		DEEBLN
O=[N+]([O-])c1ccc(O)c(CN=Nc2ncccc2[N+](=O)[O-])c1	ZINC000036231216	401903972	/nfs/dbraw/zinc/90/39/72/401903972.db2.gz	NYMCSGSVVPDRDS-VGOFMYFVSA-N	0	2	303.234	2.050	40	30		DEEBLN
O=C1C(=NO)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	ZINC000005603862	304619206	/nfs/dbraw/zinc/61/92/06/304619206.db2.gz	YHKFSNOYHDJWAQ-UHFFFAOYSA-N	0	2	309.281	2.017	40	30		DEEBLN
O=[N+]([O-])C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681935	185383161	/nfs/dbraw/zinc/38/31/61/185383161.db2.gz	YKZQLVNLDJUWPJ-UWTATZPHSA-N	0	2	309.084	2.092	40	30		DEEBLN
C=CCOc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000032690915	401881249	/nfs/dbraw/zinc/88/12/49/401881249.db2.gz	ZCDKTFMNLONICB-SREVYHEPSA-N	0	2	315.285	2.119	40	30		DEEBLN
COc1cccc(/C=N\O)c1OS(=O)(=O)c1ccccc1	ZINC000216782908	257230771	/nfs/dbraw/zinc/23/07/71/257230771.db2.gz	KOQMRVRUWLDNJS-GDNBJRDFSA-N	0	2	307.327	2.271	40	30		DEEBLN
Cc1[nH][nH]c(=O)c1[C@H](c1c(F)cccc1Cl)C(C#N)C#N	ZINC000103769557	402193913	/nfs/dbraw/zinc/19/39/13/402193913.db2.gz	KEJQJTGDWZPGHG-NWDGAFQWSA-N	0	2	304.712	2.348	40	30		DEEBLN
O=[N+]([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2O)nc1	ZINC000409074759	227248945	/nfs/dbraw/zinc/24/89/45/227248945.db2.gz	VJKYAYKCQPBGLP-MKMNVTDBSA-N	0	2	303.234	2.050	40	30		DEEBLN
C=CC/N=C1\S[C@@H](CC)C(=O)N1S(=O)(=O)c1ccccc1	ZINC000004426553	518683088	/nfs/dbraw/zinc/68/30/88/518683088.db2.gz	MLGWVPODBLLNEA-VCHHOEMESA-N	0	2	324.427	2.271	40	30		DEEBLN
C=CC/N=C1\SC(CC)C(=O)N1S(=O)(=O)c1ccccc1	ZINC000004426553	518683093	/nfs/dbraw/zinc/68/30/93/518683093.db2.gz	MLGWVPODBLLNEA-VCHHOEMESA-N	0	2	324.427	2.271	40	30		DEEBLN
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)N=Cc1c(O)ccc2ccccc21	ZINC000034762316	526304489	/nfs/dbraw/zinc/30/44/89/526304489.db2.gz	VNUQLWYTGZQBME-OMPOGXFXSA-N	0	2	309.325	2.383	40	30		DEEBLN
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)N=Cc1c(O)ccc2ccccc21	ZINC000034762316	526304499	/nfs/dbraw/zinc/30/44/99/526304499.db2.gz	VNUQLWYTGZQBME-OMPOGXFXSA-N	0	2	309.325	2.383	40	30		DEEBLN
C/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C	ZINC000004699139	181139248	/nfs/dbraw/zinc/13/92/48/181139248.db2.gz	JRADOODQGZFEPY-QMLLPTRZSA-N	0	2	311.794	2.228	40	30		DEEBLN
C/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1C	ZINC000004699139	181139249	/nfs/dbraw/zinc/13/92/49/181139249.db2.gz	JRADOODQGZFEPY-QMLLPTRZSA-N	0	2	311.794	2.228	40	30		DEEBLN
C[C@@H]1Cc2ccccc2N1C1=NC2(CCCC2)[C@H](C#N)C(=O)N1	ZINC000014608374	401812469	/nfs/dbraw/zinc/81/24/69/401812469.db2.gz	RXONWEYRZJIXMA-TZMCWYRMSA-N	0	2	308.385	2.376	40	30		DEEBLN
Cc1[nH][nH]c(=O)c1[C@@H](c1c(F)cccc1Cl)C(C#N)C#N	ZINC000103769554	402193818	/nfs/dbraw/zinc/19/38/18/402193818.db2.gz	KEJQJTGDWZPGHG-NEPJUHHUSA-N	0	2	304.712	2.348	40	30		DEEBLN