smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccccc1C#N	ZINC000113834626	543497170	/nfs/dbraw/zinc/49/71/70/543497170.db2.gz	UCKQRGYWAMTWIK-OVCLIPMQSA-N	-1	1	365.414	2.491	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1OC	ZINC000408901242	263505155	/nfs/dbraw/zinc/50/51/55/263505155.db2.gz	CMUUSZMISAHBDH-GXDHUFHOSA-N	-1	1	372.446	2.245	40	30		FEEBMM
C=CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000409049921	263520530	/nfs/dbraw/zinc/52/05/30/263520530.db2.gz	RJFVQYRIAOGUJY-UHFFFAOYSA-N	-1	1	357.218	2.473	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2cccn2-c2ccccc2F)C(=O)[N-]C1=S	ZINC000408967836	570705097	/nfs/dbraw/zinc/70/50/97/570705097.db2.gz	XNRISKZZHSLXLH-ACCUITESSA-N	-1	1	355.394	2.429	40	30		FEEBMM
COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)C=Cc1ccccc1	ZINC000016941515	539637533	/nfs/dbraw/zinc/63/75/33/539637533.db2.gz	ZUCITBSZCUEOLI-CMDGGOBGSA-N	-1	1	358.375	2.235	40	30		FEEBMM
O=C1Nc2cc([N+](=O)[O-])ccc2C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100506328	206224128	/nfs/dbraw/zinc/22/41/28/206224128.db2.gz	FOMREYKVCSXSAW-UHFFFAOYSA-N	-1	1	372.253	2.180	40	30		FEEBMM
O=C([O-])CC1S/C(=N\c2ccccc2)N(NC(=O)c2ccccc2)C1=O	ZINC000100447238	543025270	/nfs/dbraw/zinc/02/52/70/543025270.db2.gz	UYCVDGBRJLZKHP-ORIGZDJFSA-N	-1	1	369.402	2.438	40	30		FEEBMM
CCS[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(CC(=O)[O-])C(=O)N1C	ZINC000062716303	541153702	/nfs/dbraw/zinc/15/37/02/541153702.db2.gz	SFWYZNGMKRLNQL-MRXNPFEDSA-N	-1	1	364.379	2.100	40	30		FEEBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC#N	ZINC000409328466	570750409	/nfs/dbraw/zinc/75/04/09/570750409.db2.gz	VUDSQDHCLBCBSO-GQCTYLIASA-N	-1	1	358.310	2.267	40	30		FEEBMM
C=CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000113866004	543497185	/nfs/dbraw/zinc/49/71/85/543497185.db2.gz	HOVILPBIIDNTDO-UHFFFAOYSA-N	-1	1	366.826	2.218	40	30		FEEBMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OCC)CC(=O)N2	ZINC000004944316	539396774	/nfs/dbraw/zinc/39/67/74/539396774.db2.gz	XCUHGDKAKMPRBG-LBPRGKRZSA-N	-1	1	355.419	2.368	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OC)c1OCCC	ZINC000409070425	558690320	/nfs/dbraw/zinc/69/03/20/558690320.db2.gz	ZJRDFSNMFFFXBO-UHFFFAOYSA-N	-1	1	360.435	2.127	40	30		FEEBMM
CS[C@H]1C(C(=O)C(C)(C)C)C(=CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716412	541153738	/nfs/dbraw/zinc/15/37/38/541153738.db2.gz	OGWFFXWLMQTAQZ-QFYYESIMSA-N	-1	1	355.456	2.083	40	30		FEEBMM
CCN1C(=O)C(CC(=O)[O-])=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC	ZINC000062716346	541153903	/nfs/dbraw/zinc/15/39/03/541153903.db2.gz	KIRVQHWKBACFIQ-INIZCTEOSA-N	-1	1	364.379	2.100	40	30		FEEBMM
C=CCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	ZINC000113866063	543497078	/nfs/dbraw/zinc/49/70/78/543497078.db2.gz	WFSRJYHHTWOUIE-UHFFFAOYSA-N	-1	1	350.758	2.053	40	30		FEEBMM
C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000113866063	543497081	/nfs/dbraw/zinc/49/70/81/543497081.db2.gz	WFSRJYHHTWOUIE-UHFFFAOYSA-N	-1	1	350.758	2.053	40	30		FEEBMM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000113866063	543497083	/nfs/dbraw/zinc/49/70/83/543497083.db2.gz	WFSRJYHHTWOUIE-UHFFFAOYSA-N	-1	1	350.758	2.053	40	30		FEEBMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC)cc1)CC(=O)N2	ZINC000004944385	539396784	/nfs/dbraw/zinc/39/67/84/539396784.db2.gz	FWTVWMKXHJNMQT-CYBMUJFWSA-N	-1	1	355.419	2.368	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)[N-]C1=S	ZINC000408903822	570697531	/nfs/dbraw/zinc/69/75/31/570697531.db2.gz	ZYEHNQIVFKJVPC-UXBLZVDNSA-N	-1	1	366.826	2.170	40	30		FEEBMM
CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000106823161	209273613	/nfs/dbraw/zinc/27/36/13/209273613.db2.gz	WCUPRTCWMOCUQC-PTSWNOGYSA-N	-1	1	369.421	2.384	40	30		FEEBMM
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)[N-]C1=S	ZINC000409391257	571319577	/nfs/dbraw/zinc/31/95/77/571319577.db2.gz	INQZHXRTELMZIF-NTEUORMPSA-N	-1	1	351.387	2.465	40	30		FEEBMM
C=CCc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1OCC(=O)OC	ZINC000016195387	539628447	/nfs/dbraw/zinc/62/84/47/539628447.db2.gz	NPIPAKWLOMDZSX-JYRVWZFOSA-N	-1	1	363.391	2.299	40	30		FEEBMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000027345389	539805278	/nfs/dbraw/zinc/80/52/78/539805278.db2.gz	QNORJCNSJDORKN-MHWRWJLKSA-N	-1	1	362.367	2.130	40	30		FEEBMM
Cc1ccc(S(=O)(=O)N=C([O-])NN=Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000027345389	539805281	/nfs/dbraw/zinc/80/52/81/539805281.db2.gz	QNORJCNSJDORKN-MHWRWJLKSA-N	-1	1	362.367	2.130	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000408963473	570704206	/nfs/dbraw/zinc/70/42/06/570704206.db2.gz	BUSOYBVVGCLUHB-RVDMUPIBSA-N	-1	1	355.394	2.429	40	30		FEEBMM
C=CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000409038659	263519188	/nfs/dbraw/zinc/51/91/88/263519188.db2.gz	ALOZKYNJJZLZBG-UHFFFAOYSA-N	-1	1	357.218	2.473	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc(OCC)c1OC	ZINC000409393719	263556161	/nfs/dbraw/zinc/55/61/61/263556161.db2.gz	ZGTPAVLNKXGHPD-GXDHUFHOSA-N	-1	1	374.462	2.469	40	30		FEEBMM
CC(=NNc1nnc(SCC(=O)n2nc(C)cc2C)[n-]1)c1cccnc1	ZINC000137743983	544392723	/nfs/dbraw/zinc/39/27/23/544392723.db2.gz	YDPMXKSHXCOPHI-XDHOZWIPSA-N	-1	1	370.442	2.282	40	30		FEEBMM
CC(=NNc1nnc(SCC(=O)NC2CCCC2)[n-]1)c1ccccn1	ZINC000253476408	549689470	/nfs/dbraw/zinc/68/94/70/549689470.db2.gz	JUGOMLOATJINEO-UHFFFAOYSA-N	-1	1	359.459	2.187	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)[N-]C1=S	ZINC000220547207	548701245	/nfs/dbraw/zinc/70/12/45/548701245.db2.gz	MPAYCOZGMSACJW-JXMROGBWSA-N	-1	1	351.771	2.061	40	30		FEEBMM
COc1cc(CN=Nc2nn[n-]n2)cc(Br)c1OC(C)C	ZINC000035189330	539979029	/nfs/dbraw/zinc/97/90/29/539979029.db2.gz	WRUXIASXHOHACY-NSIKDUERSA-N	-1	1	355.196	2.204	40	30		FEEBMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C4(C#N)CC4)cc3)cc2oc1=O	ZINC000223030482	548715409	/nfs/dbraw/zinc/71/54/09/548715409.db2.gz	MQSOWMSMROCJMV-UHFFFAOYSA-N	-1	1	369.402	2.487	40	30		FEEBMM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000223671520	548723365	/nfs/dbraw/zinc/72/33/65/548723365.db2.gz	BUJGSXYLZMHNBO-UHFFFAOYSA-N	-1	1	367.448	2.456	40	30		FEEBMM
[O-]/N=C(\CN1CCN(C/C(=N\O)c2ccccc2)CC1)c1ccccc1	ZINC000104058504	527589283	/nfs/dbraw/zinc/58/92/83/527589283.db2.gz	ILFLQUVVXWLGEO-FLFKKZLDSA-N	-1	1	352.438	2.361	40	30		FEEBMM
O=C1[N-]C(=O)N(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H]1O	ZINC000005639789	263343329	/nfs/dbraw/zinc/34/33/29/263343329.db2.gz	VEVCGFUNQDTPCR-URSXVQGUSA-N	-1	1	354.149	2.458	40	30		FEEBMM
CS[C@@H]1C(C(=O)C(C)(C)C)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716413	541153565	/nfs/dbraw/zinc/15/35/65/541153565.db2.gz	OGWFFXWLMQTAQZ-QLJPJBMISA-N	-1	1	355.456	2.083	40	30		FEEBMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1OC	ZINC000010008898	263363261	/nfs/dbraw/zinc/36/32/61/263363261.db2.gz	XDIACJPRNBKRMD-UHFFFAOYSA-N	-1	1	373.434	2.312	40	30		FEEBMM
O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc([O-])c(Br)c1	ZINC000409344955	570751652	/nfs/dbraw/zinc/75/16/52/570751652.db2.gz	JSRYLRHQNFGMRX-UHFFFAOYSA-N	-1	1	360.167	2.452	40	30		FEEBMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1	ZINC000225078169	526484132	/nfs/dbraw/zinc/48/41/32/526484132.db2.gz	VKYFONJFLSHNON-UHFFFAOYSA-N	-1	1	369.402	2.207	40	30		FEEBMM
O=c1[nH]cnc2[n-]c(N=NC=C(Br)Cc3ccccc3)nc21	ZINC000006565679	204253068	/nfs/dbraw/zinc/25/30/68/204253068.db2.gz	MTGGTIZBQROXGS-IFBHZZHUSA-N	-1	1	359.187	2.480	40	30		FEEBMM
CN1C(=C([O-])Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O	ZINC000049089868	205169002	/nfs/dbraw/zinc/16/90/02/205169002.db2.gz	OXROWJKCGCOJDO-JLHYYAGUSA-N	-1	1	371.827	2.453	40	30	world	FEEBMM
COc1cc(C=NNc2nc(C)cc(=O)[n-]2)cc(Br)c1O	ZINC000006982338	206206905	/nfs/dbraw/zinc/20/69/05/206206905.db2.gz	APMXMHRAYCRRIF-GIDUJCDVSA-N	-1	1	353.176	2.001	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1OCC	ZINC000409073969	570719677	/nfs/dbraw/zinc/71/96/77/570719677.db2.gz	ONVKYLKLGJSZBM-UHFFFAOYSA-N	-1	1	360.435	2.127	40	30		FEEBMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2	ZINC000004944457	206184858	/nfs/dbraw/zinc/18/48/58/206184858.db2.gz	XZUZVKSVXDEPQM-JTQLQIEISA-N	-1	1	357.391	2.251	40	30		FEEBMM
CCN1C(=O)C(CC(=O)[O-])=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1SC	ZINC000062716345	541153557	/nfs/dbraw/zinc/15/35/57/541153557.db2.gz	KIRVQHWKBACFIQ-MRXNPFEDSA-N	-1	1	364.379	2.100	40	30		FEEBMM
C=CCc1cc(C=C2SC(=O)[N-]C2=O)cc(OC)c1OCC(=O)OC	ZINC000002801001	206345490	/nfs/dbraw/zinc/34/54/90/206345490.db2.gz	NPIPAKWLOMDZSX-MDWZMJQESA-N	-1	1	363.391	2.299	40	30		FEEBMM
CS[C@@H]1C(C(=O)C(C)(C)C)C(=CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1	ZINC000062716411	541153828	/nfs/dbraw/zinc/15/38/28/541153828.db2.gz	OGWFFXWLMQTAQZ-MGPLVRAMSA-N	-1	1	355.456	2.083	40	30		FEEBMM
[O-]/N=C(/CN1CCN(C/C(=N/O)c2ccccc2)CC1)c1ccccc1	ZINC000104058508	527587242	/nfs/dbraw/zinc/58/72/42/527587242.db2.gz	ILFLQUVVXWLGEO-WRBBJXAJSA-N	-1	1	352.438	2.361	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)[N-]C1=S	ZINC000230597687	571311335	/nfs/dbraw/zinc/31/13/35/571311335.db2.gz	XRYSHXDSINVACL-UKTHLTGXSA-N	-1	1	360.435	2.295	40	30		FEEBMM
[O-]C(Cc1cccc(/C=N\N2CCOCC2)n1)(C(F)(F)F)C(F)(F)F	ZINC000016981565	539638183	/nfs/dbraw/zinc/63/81/83/539638183.db2.gz	NAWRGZYZMYBKPF-NKVSQWTQSA-N	-1	1	371.281	2.146	40	30		FEEBMM
N#CC1(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)CC1	ZINC000223028057	548716108	/nfs/dbraw/zinc/71/61/08/548716108.db2.gz	WOWXKBWJBTUOGO-UHFFFAOYSA-N	-1	1	355.375	2.477	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)[N-]C1=S	ZINC000408903129	570697518	/nfs/dbraw/zinc/69/75/18/570697518.db2.gz	UUNDHESMGMVCNO-DTQAZKPQSA-N	-1	1	355.463	2.490	40	30		FEEBMM
CCOc1cc(/C=N/NC(N)=S)c(Cl)c(Br)c1[O-]	ZINC000002799736	539353630	/nfs/dbraw/zinc/35/36/30/539353630.db2.gz	YPGRBPXTRNEKQD-LNKIKWGQSA-N	-1	1	352.641	2.374	40	30		FEEBMM
Cc1cc(=O)[n-]c(NN=Cc2ccccc2I)n1	ZINC000005728521	539416346	/nfs/dbraw/zinc/41/63/46/539416346.db2.gz	OPOBGBPIDVVWFZ-VGOFMYFVSA-N	-1	1	354.151	2.129	40	30		FEEBMM
CCS[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(CC(=O)[O-])C(=O)N1C	ZINC000062716304	541153880	/nfs/dbraw/zinc/15/38/80/541153880.db2.gz	SFWYZNGMKRLNQL-INIZCTEOSA-N	-1	1	364.379	2.100	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccccc2Br)C(=O)[N-]C1=S	ZINC000223932922	548726361	/nfs/dbraw/zinc/72/63/61/548726361.db2.gz	ADDFPEULZCROBK-CSKARUKUSA-N	-1	1	351.225	2.262	40	30		FEEBMM
C#CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000408911651	570698407	/nfs/dbraw/zinc/69/84/07/570698407.db2.gz	BACQPFDNYPNWFG-RVDMUPIBSA-N	-1	1	350.399	2.108	40	30		FEEBMM
N#Cc1ccccc1COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000032139007	539929602	/nfs/dbraw/zinc/92/96/02/539929602.db2.gz	OPFCGKDDARHCBD-UHFFFAOYSA-N	-1	1	363.398	2.052	40	30		FEEBMM
CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000106823164	209274391	/nfs/dbraw/zinc/27/43/91/209274391.db2.gz	WCUPRTCWMOCUQC-DKICVRJWSA-N	-1	1	369.421	2.384	40	30		FEEBMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OCC)CC(=O)N2	ZINC000004944317	539396401	/nfs/dbraw/zinc/39/64/01/539396401.db2.gz	XCUHGDKAKMPRBG-GFCCVEGCSA-N	-1	1	355.419	2.368	40	30		FEEBMM
O=C([O-])c1cccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	ZINC000408742247	263495401	/nfs/dbraw/zinc/49/54/01/263495401.db2.gz	VOHUNUZUPRHOGU-FVOVHSBVSA-N	-1	1	367.386	2.151	40	30		FEEBMM
O=C1[N-]C(=O)N(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H]1O	ZINC000001567923	210360798	/nfs/dbraw/zinc/36/07/98/210360798.db2.gz	VEVCGFUNQDTPCR-KVLOYDHYSA-N	-1	1	354.149	2.458	40	30		FEEBMM
COc1cc(CN=Nc2nn[n-]n2)cc(Br)c1OC(C)C	ZINC000006049747	539421024	/nfs/dbraw/zinc/42/10/24/539421024.db2.gz	WRUXIASXHOHACY-MKMNVTDBSA-N	-1	1	355.196	2.204	40	30		FEEBMM
CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000106823168	543249553	/nfs/dbraw/zinc/24/95/53/543249553.db2.gz	WCUPRTCWMOCUQC-UVFQYZLESA-N	-1	1	369.421	2.384	40	30		FEEBMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(Br)cc1	ZINC000009189432	539498710	/nfs/dbraw/zinc/49/87/10/539498710.db2.gz	BTWUVWNJCQXANQ-SMUOPJFFSA-N	-1	1	370.228	2.235	40	30		FEEBMM
O=C1[N-]C(=O)N(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@H]1O	ZINC000005639791	539414957	/nfs/dbraw/zinc/41/49/57/539414957.db2.gz	VEVCGFUNQDTPCR-YVTAIUNXSA-N	-1	1	354.149	2.458	40	30		FEEBMM
O=C([O-])CC1S/C(=N\c2ccccc2)N(NC(=O)c2ccccc2)C1=O	ZINC000005681401	539414949	/nfs/dbraw/zinc/41/49/49/539414949.db2.gz	UYCVDGBRJLZKHP-JGWKNBOWSA-N	-1	1	369.402	2.438	40	30		FEEBMM
CC(=NNc1nnc(SCC(=O)NC2CCCC2)[n-]1)c1ccccn1	ZINC000020608386	518467205	/nfs/dbraw/zinc/46/72/05/518467205.db2.gz	JUGOMLOATJINEO-RGVLZGJSSA-N	-1	1	359.459	2.187	40	30		FEEBMM
CS[C@H]1C(C(=O)C(C)(C)C)C(=CC(=O)[O-])C(=O)N1C[C@H]1CCCO1	ZINC000062716414	541153999	/nfs/dbraw/zinc/15/39/99/541153999.db2.gz	OGWFFXWLMQTAQZ-HWPZZCPQSA-N	-1	1	355.456	2.083	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)[N-]C1=S	ZINC000408902302	263505728	/nfs/dbraw/zinc/50/57/28/263505728.db2.gz	MWLXRYUHRDXQSM-WYMLVPIESA-N	-1	1	359.451	2.473	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OCC)c1O	ZINC000408902253	570697556	/nfs/dbraw/zinc/69/75/56/570697556.db2.gz	MNKHIIBGFYRJND-GXDHUFHOSA-N	-1	1	372.446	2.332	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)cc(OC)c1OC	ZINC000409392073	570755742	/nfs/dbraw/zinc/75/57/42/570755742.db2.gz	NSPPOMRNGLXUPH-UKTHLTGXSA-N	-1	1	360.435	2.079	40	30		FEEBMM
CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C#N)o2)C(=O)[N-]C1=S	ZINC000409393174	571319558	/nfs/dbraw/zinc/31/95/58/571319558.db2.gz	VANROCRLFNCZKJ-NTEUORMPSA-N	-1	1	351.387	2.465	40	30		FEEBMM
O=C1[N-]C(=O)N(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@H]1O	ZINC000001567921	539342946	/nfs/dbraw/zinc/34/29/46/539342946.db2.gz	VEVCGFUNQDTPCR-WJXQYMNISA-N	-1	1	354.149	2.458	40	30		FEEBMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2	ZINC000004944384	539396373	/nfs/dbraw/zinc/39/63/73/539396373.db2.gz	FWTVWMKXHJNMQT-ZDUSSCGKSA-N	-1	1	355.419	2.368	40	30		FEEBMM
CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000106823166	543249772	/nfs/dbraw/zinc/24/97/72/543249772.db2.gz	WCUPRTCWMOCUQC-IIMJZQEZSA-N	-1	1	369.421	2.384	40	30		FEEBMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2oc1=O	ZINC000223032792	548715309	/nfs/dbraw/zinc/71/53/09/548715309.db2.gz	NAWYGPOXMNVDIN-UHFFFAOYSA-N	-1	1	357.391	2.481	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)C(=O)[N-]C1=S	ZINC000231190307	548762336	/nfs/dbraw/zinc/76/23/36/548762336.db2.gz	LCRZQMJAMJAJGW-JLHYYAGUSA-N	-1	1	360.435	2.297	40	30		FEEBMM
O=C([O-])c1cccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	ZINC000408742248	558689429	/nfs/dbraw/zinc/68/94/29/558689429.db2.gz	VOHUNUZUPRHOGU-LEBHLANCSA-N	-1	1	367.386	2.151	40	30		FEEBMM
C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)C(=O)[N-]C1=S	ZINC000408960392	558690027	/nfs/dbraw/zinc/69/00/27/558690027.db2.gz	LJMRLAGFQODARR-VBKFSLOCSA-N	-1	1	355.463	2.408	40	30		FEEBMM
[O-]C(Cc1cccc(/C=N/N2CCOCC2)n1)(C(F)(F)F)C(F)(F)F	ZINC000001614934	539343012	/nfs/dbraw/zinc/34/30/12/539343012.db2.gz	NAWRGZYZMYBKPF-ZVBGSRNCSA-N	-1	1	371.281	2.146	40	30		FEEBMM
C=CCN1C(=O)C(=Cc2c(OC)cc(OC)cc2OC)C(=O)[N-]C1=S	ZINC000001197492	219388319	/nfs/dbraw/zinc/38/83/19/219388319.db2.gz	APWBYSWFASZLAA-FMIVXFBMSA-N	-1	1	362.407	2.365	40	30		FEEBMM
COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)C=Cc1ccccc1	ZINC000005554842	539413355	/nfs/dbraw/zinc/41/33/55/539413355.db2.gz	ZUCITBSZCUEOLI-HJWRWDBZSA-N	-1	1	358.375	2.235	40	30		FEEBMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(C#N)cc1	ZINC000408916467	558689985	/nfs/dbraw/zinc/68/99/85/558689985.db2.gz	CTOIDVRTVSUSIT-CXUHLZMHSA-N	-1	1	364.430	2.222	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)[N-]C1=S	ZINC000408902195	570695949	/nfs/dbraw/zinc/69/59/49/570695949.db2.gz	LQUBQIQVQRIWNQ-NTCAYCPXSA-N	-1	1	355.463	2.408	40	30		FEEBMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2	ZINC000004944456	219630090	/nfs/dbraw/zinc/63/00/90/219630090.db2.gz	XZUZVKSVXDEPQM-SNVBAGLBSA-N	-1	1	357.391	2.251	40	30		FEEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OCC)c1OCC	ZINC000408916647	558690010	/nfs/dbraw/zinc/69/00/10/558690010.db2.gz	FOTVDEVVLQOMBD-GXDHUFHOSA-N	-1	1	374.462	2.469	40	30		FEEBMM
C/C(=N/NC(N)=S)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000005729472	539416202	/nfs/dbraw/zinc/41/62/02/539416202.db2.gz	PMQMUXXSEJJAES-PDGQHHTCSA-N	-1	1	362.480	2.353	40	30		FEEBMM
C=CCN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000231388717	548762232	/nfs/dbraw/zinc/76/22/32/548762232.db2.gz	GROWQOMGVONWDQ-RMKNXTFCSA-N	-1	1	351.771	2.061	40	30		FEEBMM