smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc2c(C=C3C(=O)NC(=S)N(C)C3=O)cn(CC(N)=O)c21	ZINC000409141681	529549105	/nfs/dbraw/zinc/54/91/05/529549105.db2.gz	BIPHWWXLNDKIJK-QPEQYQDCSA-N	0	0	370.434	0.946	40	10		FCCBRN
CN1C(=O)C(=Cc2cn(CC(N)=O)c3ccccc23)C(=O)N(C)C1=S	ZINC000006287784	530040019	/nfs/dbraw/zinc/04/00/19/530040019.db2.gz	AZJMUCOBPGICKD-UHFFFAOYSA-N	0	0	356.407	0.725	40	10		FCCBRN
Nc1ccc(OC[C@H](O)C[n+]2ccc(CCS(=O)(=O)[O-])cc2)cc1	ZINC000003032814	206158027	/nfs/dbraw/zinc/15/80/27/206158027.db2.gz	YMGNHXSDRBUIQI-OAHLLOKOSA-O	0	0	353.420	0.427	40	10		FCCBRN
CCOC(=O)CC[C@H](NC(=O)c1[nH]cnc1N=NN(C)C)C(=O)OCC	ZINC000018130730	487600734	/nfs/dbraw/zinc/60/07/34/487600734.db2.gz	UWULJLFDMFZOLZ-MEFNJXNFSA-N	0	0	368.394	0.975	40	10		FCCBRN
CCN1C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O	ZINC000004856728	204170892	/nfs/dbraw/zinc/17/08/92/204170892.db2.gz	CXGCEDVXGMNZMU-MMMWYMCRSA-N	0	0	359.426	0.950	40	10		FCCBRN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3O)[C@H]2SC1	ZINC001570006108	1269828994	/nfs/dbraw/zinc/82/89/94/1269828994.db2.gz	CUXVKLLSHPANDN-UEKVPHQBSA-N	0	0	363.395	0.151	40	10		FCCBRN
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCC[NH+]1CCOCC1	ZINC000100642810	206223860	/nfs/dbraw/zinc/22/38/60/206223860.db2.gz	YBAJDEKMKDMERI-KAMYIIQDSA-N	0	0	362.386	0.054	40	10		FCCBRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(N(C)C)cc1)N[C@@]2(C)C(=O)OC	ZINC000019526734	487604483	/nfs/dbraw/zinc/60/44/83/487604483.db2.gz	CXGCEDVXGMNZMU-XTDOFWJNSA-N	0	0	359.426	0.950	40	10		FCCBRN
CCOc1cc([N+](=O)[O-])c(C=C2C(=O)NC(=S)NC2=O)cc1OC	ZINC000096193617	674565787	/nfs/dbraw/zinc/56/57/87/674565787.db2.gz	VDAIFWKXSSJMEC-UHFFFAOYSA-N	0	0	351.340	0.916	40	10		FCCBRN
Nc1ccc(OC[C@@H](O)C[n+]2ccc(CCS(=O)(=O)[O-])cc2)cc1	ZINC000003032817	206156885	/nfs/dbraw/zinc/15/68/85/206156885.db2.gz	YMGNHXSDRBUIQI-HNNXBMFYSA-O	0	0	353.420	0.427	40	10		FCCBRN
CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](C)(C(=O)OC)N[C@@H]2c1ccc(N(C)C)cc1	ZINC000004856735	204170628	/nfs/dbraw/zinc/17/06/28/204170628.db2.gz	CXGCEDVXGMNZMU-NXEZDXNNSA-N	0	0	359.426	0.950	40	10		FCCBRN
Cn1cnc2c1[C@@H](C(=O)N1CCCCC1)CN(c1ccc3nncn3n1)C2	ZINC000306123467	132301502	/nfs/dbraw/zinc/30/15/02/132301502.db2.gz	AOBUMSPSTXLDRN-ZDUSSCGKSA-N	0	0	366.429	0.974	40	10		FCCBRN
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000020150361	220315930	/nfs/dbraw/zinc/31/59/30/220315930.db2.gz	LMTNFLKNDLPTEY-XLPNERPQSA-N	0	0	359.426	0.950	40	10		FCCBRN
NC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	ZINC000409226342	534332844	/nfs/dbraw/zinc/33/28/44/534332844.db2.gz	VEWRDOIROCTYLM-UHFFFAOYSA-N	0	0	374.205	0.772	40	10		FCCBRN
CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1OCC(N)=O	ZINC000408918631	528197308	/nfs/dbraw/zinc/19/73/08/528197308.db2.gz	MXNZTMIBMQQPOH-UXBLZVDNSA-N	0	0	363.395	0.206	40	10		FCCBRN
CN1C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2[N+](=O)[O-])C(=O)N(C)C1=O	ZINC000408535503	530040067	/nfs/dbraw/zinc/04/00/67/530040067.db2.gz	SXBOMEGBRPWWKO-UHFFFAOYSA-N	0	0	360.286	0.523	40	10		FCCBRN
CCOC(=O)C([N+]#N)=C([O-])c1ccc(C([O-])=C([N+]#N)C(=O)OCC)cc1	ZINC000005031130	207074282	/nfs/dbraw/zinc/07/42/82/207074282.db2.gz	IRBWZYAKMBUEIQ-UHFFFAOYSA-N	0	0	358.310	0.520	40	10		FCCBRN
COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(C)C1=O	ZINC000006949660	532957171	/nfs/dbraw/zinc/95/71/71/532957171.db2.gz	RJSXKQSPXRNBKK-LCYFTJDESA-N	0	0	361.423	0.788	40	10		FCCBRN
Nc1nonc1/N=N/N(CC(=O)NC1CCCCC1)c1nonc1N	ZINC000059488299	229150754	/nfs/dbraw/zinc/15/07/54/229150754.db2.gz	AWDIVMNJYNYSOZ-LTGZKZEYSA-N	0	0	350.343	0.571	40	10		FCCBRN
COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O	ZINC000004933203	487483483	/nfs/dbraw/zinc/48/34/83/487483483.db2.gz	CUKOHNUQVXLJMK-GXDHUFHOSA-N	0	0	359.382	0.897	40	10		FCCBRN
COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC2)cc1	ZINC000225963169	536680589	/nfs/dbraw/zinc/68/05/89/536680589.db2.gz	ASEGBJQTMXWGLQ-UHFFFAOYSA-N	0	0	370.475	0.082	40	10		FCCBRN
CC(C)CN1[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2OCCS1(=O)=O	ZINC001534645891	1267266769	/nfs/dbraw/zinc/26/67/69/1267266769.db2.gz	PZQDDCUEZCIIIB-PBHICJAKSA-N	0	0	370.471	0.969	40	10		FCCBRN
COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000408911493	533554624	/nfs/dbraw/zinc/55/46/24/533554624.db2.gz	NOCLCAXUECFIBB-UXBLZVDNSA-N	0	0	364.379	0.504	40	10		FCCBRN
Nc1ccc(NS(=O)(=O)CS(=O)(=O)Nc2ccc(N)cc2)cc1	ZINC000001703757	487470151	/nfs/dbraw/zinc/47/01/51/487470151.db2.gz	JWBUIOGFDPLZGH-UHFFFAOYSA-N	0	0	356.429	0.992	40	10		FCCBRN
COc1ccc(N2CCN(C(=O)Cn3ncc4cccn4c3=O)CC2)cc1	ZINC000012117320	487548399	/nfs/dbraw/zinc/54/83/99/487548399.db2.gz	NGSORVMKGCRJQS-UHFFFAOYSA-N	0	0	367.409	0.853	40	10		FCCBRN
Nc1ccc(CN([C@@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575422380	491553512	/nfs/dbraw/zinc/55/35/12/491553512.db2.gz	VJDMXTNBVMKJFO-GASCZTMLSA-N	0	0	358.485	0.445	40	10		FCCBRN
CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245229720	523551644	/nfs/dbraw/zinc/55/16/44/523551644.db2.gz	DUEHFAXTXDYXTH-GJRWTSMGSA-N	0	0	359.426	0.950	40	10		FCCBRN
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CC[NH+](C)CC3)C2=O)cc1	ZINC000038163607	1245294525	/nfs/dbraw/zinc/29/45/25/1245294525.db2.gz	PSOFVMWZZKJJDM-KAMYIIQDSA-N	0	0	359.386	0.754	40	10		FCCBRN
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCO	ZINC000017074507	533321485	/nfs/dbraw/zinc/32/14/85/533321485.db2.gz	FIXWKMURRZRLJP-GDNBJRDFSA-N	0	0	362.342	0.716	40	10		FCCBRN
CC[C@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420234	488494183	/nfs/dbraw/zinc/49/41/83/488494183.db2.gz	DUEHFAXTXDYXTH-YGTYGHESSA-N	0	0	359.426	0.950	40	10		FCCBRN
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21	ZINC000004771957	207047476	/nfs/dbraw/zinc/04/74/76/207047476.db2.gz	WHPNHQRWWMLKPJ-UHFFFAOYSA-N	0	0	358.350	0.682	40	10		FCCBRN
NC(N)=[NH+]NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000038162511	1245294541	/nfs/dbraw/zinc/29/45/41/1245294541.db2.gz	UZPAECHZLFGQRQ-YVMONPNESA-N	0	0	367.163	0.744	40	10		FCCBRN
O=C1NC(=S)NC(=O)C1=Cc1ccc(SCCO)c([N+](=O)[O-])c1	ZINC000032124889	208026732	/nfs/dbraw/zinc/02/67/32/208026732.db2.gz	ASMTZBMELCIDJV-UHFFFAOYSA-N	0	0	353.381	0.594	40	10		FCCBRN
CCOC(=O)CC[C@@H](NC(=O)c1[nH]cnc1N=NN(C)C)C(=O)OCC	ZINC000018081730	207624151	/nfs/dbraw/zinc/62/41/51/207624151.db2.gz	UWULJLFDMFZOLZ-QUSGQHSNSA-N	0	0	368.394	0.975	40	10		FCCBRN
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000020150364	487610029	/nfs/dbraw/zinc/61/00/29/487610029.db2.gz	LMTNFLKNDLPTEY-NRTGNBEESA-N	0	0	359.426	0.950	40	10		FCCBRN
CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000229923590	488452375	/nfs/dbraw/zinc/45/23/75/488452375.db2.gz	DUEHFAXTXDYXTH-GPINWOSQSA-N	0	0	359.426	0.950	40	10		FCCBRN
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420149	488494140	/nfs/dbraw/zinc/49/41/40/488494140.db2.gz	LMTNFLKNDLPTEY-QCUYGVNKSA-N	0	0	359.426	0.950	40	10		FCCBRN
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC#N	ZINC000334157460	489267405	/nfs/dbraw/zinc/26/74/05/489267405.db2.gz	WJSFGWWGIOGNDY-UHFFFAOYSA-O	0	0	356.387	0.806	40	10		FCCBRN
COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	ZINC000604381212	492059482	/nfs/dbraw/zinc/05/94/82/492059482.db2.gz	FSXXSRPBFJAJLJ-MRXNPFEDSA-N	0	0	361.442	0.136	40	10	biogenic,in-vitro	FCCBRN
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245230092	521353442	/nfs/dbraw/zinc/35/34/42/521353442.db2.gz	LMTNFLKNDLPTEY-NXEZDXNNSA-N	0	0	359.426	0.950	40	10		FCCBRN
CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245229721	523551872	/nfs/dbraw/zinc/55/18/72/523551872.db2.gz	DUEHFAXTXDYXTH-ZTENYAIWSA-N	0	0	359.426	0.950	40	10		FCCBRN
COc1c(OC(C)=O)ccc(C=C2C(=O)NC(=S)NC2=O)c1[N+](=O)[O-]	ZINC000408718379	533447368	/nfs/dbraw/zinc/44/73/68/533447368.db2.gz	VPEMULJKZQCVBN-UHFFFAOYSA-N	0	0	365.323	0.443	40	10		FCCBRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)N[C@@]2(C)C(=O)OC	ZINC000019526735	220269166	/nfs/dbraw/zinc/26/91/66/220269166.db2.gz	CXGCEDVXGMNZMU-XMDUPGNXSA-N	0	0	359.426	0.950	40	10		FCCBRN
COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c([N+](=O)[O-])cc1OC	ZINC000408908338	533472582	/nfs/dbraw/zinc/47/25/82/533472582.db2.gz	BTVGVYNZLRSOJC-XBXARRHUSA-N	0	0	351.340	0.869	40	10		FCCBRN
Nc1ccc(CN(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421053	491553471	/nfs/dbraw/zinc/55/34/71/491553471.db2.gz	MQPUFGGVSVHMEJ-SFHVURJKSA-N	0	0	367.515	0.980	40	10		FCCBRN
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](C)(C(=O)OC)[C@H]2C1=O	ZINC000245229675	521531341	/nfs/dbraw/zinc/53/13/41/521531341.db2.gz	CXGCEDVXGMNZMU-QCUYGVNKSA-N	0	0	359.426	0.950	40	10		FCCBRN
CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(O)c(O)c3)C2=N)S1	ZINC000041077740	210044183	/nfs/dbraw/zinc/04/41/83/210044183.db2.gz	UQRMYJNFQROHRE-FFHGDWALSA-N	0	0	366.380	0.719	40	10		FCCBRN
CC[C@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000019500727	211226405	/nfs/dbraw/zinc/22/64/05/211226405.db2.gz	DUEHFAXTXDYXTH-XLPNERPQSA-N	0	0	359.426	0.950	40	10		FCCBRN
Nc1ccc(CN([C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575422383	491553520	/nfs/dbraw/zinc/55/35/20/491553520.db2.gz	VJDMXTNBVMKJFO-HUUCEWRRSA-N	0	0	358.485	0.445	40	10		FCCBRN
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S	ZINC000104304446	222355583	/nfs/dbraw/zinc/35/55/83/222355583.db2.gz	KOMIIJXHUFBEEB-FLIBITNWSA-N	0	0	358.379	0.553	40	10		FCCBRN
Nc1ccc(CN([C@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575422381	491553363	/nfs/dbraw/zinc/55/33/63/491553363.db2.gz	VJDMXTNBVMKJFO-GJZGRUSLSA-N	0	0	358.485	0.445	40	10		FCCBRN
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000020150362	211271101	/nfs/dbraw/zinc/27/11/01/211271101.db2.gz	LMTNFLKNDLPTEY-XMDUPGNXSA-N	0	0	359.426	0.950	40	10		FCCBRN
CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019500729	220263461	/nfs/dbraw/zinc/26/34/61/220263461.db2.gz	DUEHFAXTXDYXTH-HRLGVUPISA-N	0	0	359.426	0.950	40	10		FCCBRN
Nc1ccc(CN(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421052	491553417	/nfs/dbraw/zinc/55/34/17/491553417.db2.gz	MQPUFGGVSVHMEJ-GOSISDBHSA-N	0	0	367.515	0.980	40	10		FCCBRN
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000231643427	210179343	/nfs/dbraw/zinc/17/93/43/210179343.db2.gz	LMTNFLKNDLPTEY-DEXNDLTESA-N	0	0	359.426	0.950	40	10		FCCBRN
CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000019500726	211226220	/nfs/dbraw/zinc/22/62/20/211226220.db2.gz	DUEHFAXTXDYXTH-XMDUPGNXSA-N	0	0	359.426	0.950	40	10		FCCBRN
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccc(O)c(O)c1	ZINC000104279780	222354083	/nfs/dbraw/zinc/35/40/83/222354083.db2.gz	XNSYTEQVOICYPE-OAHLLOKOSA-N	0	0	357.370	0.624	40	10		FCCBRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)N[C@]2(C)C(=O)OC	ZINC000229994609	488452529	/nfs/dbraw/zinc/45/25/29/488452529.db2.gz	CXGCEDVXGMNZMU-XLPNERPQSA-N	0	0	359.426	0.950	40	10		FCCBRN
COc1cc(N2N=C(C)C(=CNC(CO)(CO)CO)C2=O)ccc1Cl	ZINC000408527277	532960508	/nfs/dbraw/zinc/96/05/08/532960508.db2.gz	DFAXPMJSCJEPMM-SDQBBNPISA-N	0	0	369.805	0.260	40	10		FCCBRN
Cn1cnc2c1[C@H](C(=O)N1CCCCC1)CN(c1ccc3nncn3n1)C2	ZINC000306123466	132301558	/nfs/dbraw/zinc/30/15/58/132301558.db2.gz	AOBUMSPSTXLDRN-CYBMUJFWSA-N	0	0	366.429	0.974	40	10		FCCBRN
CCOC(=O)Cn1nnnc1CN1CCN(c2ccc(OC)cc2)CC1	ZINC000019530570	132888941	/nfs/dbraw/zinc/88/89/41/132888941.db2.gz	ZETYPSDHYBTKLC-UHFFFAOYSA-N	0	0	360.418	0.567	40	10		FCCBRN
CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420232	222242424	/nfs/dbraw/zinc/24/24/24/222242424.db2.gz	DUEHFAXTXDYXTH-QCUYGVNKSA-N	0	0	359.426	0.950	40	10		FCCBRN
OCCN(CCO)c1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1	ZINC000001601729	487470046	/nfs/dbraw/zinc/47/00/46/487470046.db2.gz	JZCMQCVWMJWYQV-UHFFFAOYSA-N	0	0	374.481	0.859	40	10		FCCBRN
COc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408718041	533413726	/nfs/dbraw/zinc/41/37/26/533413726.db2.gz	DWFCOBRUVLJOSL-UHFFFAOYSA-N	0	0	364.270	0.945	40	10		FCCBRN
O=C1NC(=O)c2cc(-c3ccc(C=C4C(=O)NC(=S)NC4=O)o3)ccc21	ZINC000005678253	487489858	/nfs/dbraw/zinc/48/98/58/487489858.db2.gz	CAYRXGPXXSODJD-UHFFFAOYSA-N	0	0	367.342	0.745	40	10		FCCBRN
CCS(=O)(=O)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000225959453	535651879	/nfs/dbraw/zinc/65/18/79/535651879.db2.gz	BTUBJOOSDHEWSJ-UHFFFAOYSA-N	0	0	355.460	0.625	40	10		FCCBRN
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S	ZINC000016958445	220198116	/nfs/dbraw/zinc/19/81/16/220198116.db2.gz	KOMIIJXHUFBEEB-DHZHZOJOSA-N	0	0	358.379	0.553	40	10		FCCBRN
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245230093	521353029	/nfs/dbraw/zinc/35/30/29/521353029.db2.gz	LMTNFLKNDLPTEY-XTDOFWJNSA-N	0	0	359.426	0.950	40	10		FCCBRN
Cn1c2c(nc3sc4c(n32)C(=O)c2ccccc2C4=O)c(=O)n(C)c1=O	ZINC000001624060	219413073	/nfs/dbraw/zinc/41/30/73/219413073.db2.gz	UKEMTDWFWSMKLU-UHFFFAOYSA-N	0	0	366.358	0.722	40	10		FCCBRN
Nc1nc2nc(N=Nc3ccc(N(CCO)CCO)cc3)[nH]c2c(N)n1	ZINC000104373439	222358020	/nfs/dbraw/zinc/35/80/20/222358020.db2.gz	NMAZBYSHQHVVBE-FCQUAONHSA-N	0	0	357.378	0.724	40	10		FCCBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OC(C)=O	ZINC000000708612	533718442	/nfs/dbraw/zinc/71/84/42/533718442.db2.gz	UXVDXJQOHARGIA-UHFFFAOYSA-N	0	0	350.352	0.543	40	10		FCCBRN
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420146	222243513	/nfs/dbraw/zinc/24/35/13/222243513.db2.gz	LMTNFLKNDLPTEY-YGTYGHESSA-N	0	0	359.426	0.950	40	10		FCCBRN
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](C)(C(=O)OC)[C@H]2C1=O	ZINC000245229676	521531948	/nfs/dbraw/zinc/53/19/48/521531948.db2.gz	CXGCEDVXGMNZMU-YGTYGHESSA-N	0	0	359.426	0.950	40	10		FCCBRN
Nc1nc2nc(N=Nc3ccc(N(CCO)CCO)cc3)[nH]c2c(N)n1	ZINC000018044252	220222122	/nfs/dbraw/zinc/22/21/22/220222122.db2.gz	NMAZBYSHQHVVBE-GHVJWSGMSA-N	0	0	357.378	0.724	40	10		FCCBRN
COc1c(C=C2C(=O)NC(=S)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408718353	533413886	/nfs/dbraw/zinc/41/38/86/533413886.db2.gz	TXTLQXXUWVSYOD-UHFFFAOYSA-N	0	0	352.284	0.426	40	10		FCCBRN
COCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)C(C(=O)OC)=C1C	ZINC000408865000	230014157	/nfs/dbraw/zinc/01/41/57/230014157.db2.gz	BBGGZYGIQVXHQO-GDNBJRDFSA-N	0	0	374.393	0.870	40	10		FCCBRN
COc1ccc(N2CCN(C(=O)CN3CCNC(=O)C3(C)C)CC2)cc1	ZINC000019658101	487605066	/nfs/dbraw/zinc/60/50/66/487605066.db2.gz	DELIYBMNUPSWSY-UHFFFAOYSA-N	0	0	360.458	0.554	40	10		FCCBRN
O=C1NC(=S)NC(=O)C1=CNNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016383433	220184262	/nfs/dbraw/zinc/18/42/62/220184262.db2.gz	PEMGDPVALVLWFE-UHFFFAOYSA-N	0	0	352.288	0.675	40	10		FCCBRN
O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(I)c1	ZINC000408961161	230015021	/nfs/dbraw/zinc/01/50/21/230015021.db2.gz	AZIYGWOXUMOBFW-UHFFFAOYSA-N	0	0	374.159	0.911	40	10		FCCBRN