smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(CC(=O)NNC(=O)c1c(-c2ccccc2Cl)noc1C)OCC	3127533	PSBULXILVKTESH-UHFFFAOYSA-N	395.843	2.854	50	30	GFGC	
O=C(NN=Cc1c[nH]c2ccccc12)c1c(O)c2cccc3c2n(c1=O)CCC3	602987058	FPJDDOQIOLGJBV-UHFFFAOYSA-N	386.411	2.899	50	30	GFGC	
CC(C)(O)C(C)(C)OB(O)c1ccc(OC(F)(F)F)c(CBr)c1	203835020	GTFSSVNOKQQQBK-UHFFFAOYSA-N	399.012	2.734	50	30	GFGC	
CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](CI)O2	757137977	PLDDVVMASFQIMA-NSHDSACASA-N	397.253	2.607	50	30	GFGC	
CSc1nc(C)nc(N/C=C(\C#N)S(=O)(=O)c2ccccc2Cl)n1	13466015	NOJNQUQETFKROP-CSKARUKUSA-N	381.870	2.806	50	30	GFGC	
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)O[C@@H]2CI	675054091	UBSZWEPBBFKRFB-SNVBAGLBSA-N	395.237	2.754	50	30	GFGC	
C/C(=N\NC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	12367484	BPCSSGMPTDIUJL-GDAWTGGTSA-N	384.352	2.950	50	30	GFGC	
CNC(=S)NNC(=O)CSCc1nc(-c2ccc(Cl)cc2)cs1	2144536	WMPIFHYNQYQPND-UHFFFAOYSA-N	386.955	2.822	50	30	GFGC	
Cc1cccc(NC(=S)NNC(=O)NNC(=S)Nc2cccc(C)c2)c1	3083249	RBXYAAPAJGRYKV-UHFFFAOYSA-N	388.522	2.706	50	30	GFGC	
O=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	4299917	PLGJHPVIZXJMDW-UHFFFAOYSA-N	378.344	2.857	50	30	GFGC	
CS/C(=N/S(=O)(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	6250860	VSIOKTAUGXTMIW-UHFFFAOYSA-N	383.882	2.682	50	30	GFGC	
CN1CCN(c2ncc(C=NNC(=O)c3ccc(C(F)(F)F)cc3)s2)CC1	263630265	RGQPDCCFBBVJAW-UHFFFAOYSA-N	397.426	2.678	50	30	GFGC	
Cc1nn(-c2ccccc2)nc1C(=O)NNC(=S)Nc1ccc(Cl)cc1	1037875	NMXOXNBLZRBCNL-UHFFFAOYSA-N	386.868	2.861	50	30	GFGC	
CCCN([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC	196035830	FHICIQPWGMGPQQ-UHFFFAOYSA-N	383.634	2.789	50	30	GFGC	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1cc(C)n(C(C)(C)C)n1	1029600	RXXVVTYMPZBEDM-UHFFFAOYSA-N	383.374	2.744	50	30	GFGC	
O=C(CSc1nc2cccnc2s1)NNC(=S)Nc1ccccc1F	4336151	XZSFIFFEATXLGC-UHFFFAOYSA-N	393.494	2.940	50	30	GFGC	
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CCl)OC4=O)cc3F)cn2)n1	200803150	XBEWJWSQISOVRV-LBPRGKRZSA-N	388.790	2.642	50	30	GFGC	
O=C(CSCCS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	2150315	GKIHFJVSNYPHPP-XDHOZWIPSA-N	396.921	2.997	50	30	GFGC	
CO[C@H]1C(I)=C=C(C#N)C=C1I	1565504978	IBXCUUMWNLJYBT-MRVPVSSYSA-N	384.942	2.702	50	30	GFGC	
O=C(NN=Cc1cnc(N2CCN(c3ccccc3)CC2)s1)c1cccnc1	254490153	PEOMBWQZLAPKKN-UHFFFAOYSA-N	392.488	2.629	50	30	GFGC	
CCO[Si](CSC[Si](OCC)(OCC)OCC)(OCC)OCC	195775394	QKMOHFJWHPXPHS-UHFFFAOYSA-N	386.659	2.895	50	30	GFGC	
COc1ccccc1NC(=S)NNC(=O)CSc1ccccc1[N+](=O)[O-]	2142137	FJNLINVBNIPBCF-UHFFFAOYSA-N	392.462	2.713	50	30	GFGC	
C[C@H]1CN(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1	13465988	HKIXDOKCIKPBIL-DGOSSHJLSA-N	385.283	2.697	50	30	GFGC	
N=C(NNC(=O)CC=NOCc1ccc(Cl)cc1Cl)c1cccnc1	725274109	MAENCYAENHQJPC-UHFFFAOYSA-N	380.235	2.927	50	30	GFGC	
COC(=O)[C@@H](Br)[C@@]1(Br)OC(c2ccccc2)=CC1=O	33892486	AEHFFNDBTMLCOZ-YPMHNXCESA-N	390.027	2.655	50	30	GFGC	
COc1cc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	4390252	ZTPKPZDDOPPKKB-UHFFFAOYSA-N	392.839	2.760	50	30	GFGC	
CCOC(=O)/C(C#N)=C/N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	33380947	FYPSOWLQAQCZSD-VAWYXSNFSA-N	398.341	2.706	50	30	GFGC	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)Nc1ccc(Cl)cc1	1038046	QUSSYWTVWPVLPZ-CQSZACIVSA-N	390.852	2.996	50	30	GFGC	
COCCCNC(=S)NNC(=O)CSCc1c(C)c(C)c(C)c(C)c1C	4322591	GVSIVEXGBGAUSS-UHFFFAOYSA-N	397.610	2.994	50	30	GFGC	
Cc1cc(C)c2c(N)c(C(=O)NNC(=S)NCc3ccccc3)sc2n1	4334743	VKFVTSBACRSIPV-UHFFFAOYSA-N	385.518	2.804	50	30	GFGC	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccccc1Cl	28771890	OPEGUGIFFOUHFX-AWEZNQCLSA-N	375.837	2.604	50	30	GFGC	
COC(=O)[C@@H](Br)[C@]1(Br)OC(c2ccccc2)=CC1=O	33892490	AEHFFNDBTMLCOZ-DGCLKSJQSA-N	390.027	2.655	50	30	GFGC	
Cc1nn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	1033614	YHZXPXXMNLULKI-UHFFFAOYSA-N	389.337	2.669	50	30	GFGC	
COc1cc(C(=O)NNC(=O)c2ccco2)c(-n2c(C)ccc2C)cc1OC	1027585	KVPUGSOMRNMIRF-UHFFFAOYSA-N	383.404	2.779	50	30	GFGC	
COc1cc(C(=O)NNC(=S)Nc2ccccc2Cl)cc(OC)c1OC	1040491	QLGIZXBBNFNVTO-UHFFFAOYSA-N	395.868	2.997	50	30	GFGC	
O=C(NNC=C1OC(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl	2265269896	CURMSZRMSACVJN-UHFFFAOYSA-N	392.198	2.722	50	30	GFGC	
C[C@@H]1CN(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1	1037365	HKIXDOKCIKPBIL-SJIAUZAASA-N	385.283	2.697	50	30	GFGC	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1C(C)(C)C	1028343	CULWOYJEYAODRV-UHFFFAOYSA-N	392.525	2.867	50	30	GFGC	
CC(C)(C)C(=O)NNC(=O)CSc1ncnc2sc3c(c12)CCCC3	4324128	ZCEWLIWRMUNWNW-UHFFFAOYSA-N	378.523	2.856	50	30	GFGC	
O=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1	3126418	HMTSGQLTJZRPDG-UHFFFAOYSA-N	392.868	2.865	50	30	GFGC	
O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1ccc(OCc2ccccc2)cc1	6864223	WLGCEXNDQRRIID-KEBDBYFISA-N	379.376	2.521	50	30	GFGC	
COc1cccc(OC)c1C(=O)NC(=O)NNc1cc(C(F)(F)F)cc(C)n1	1024312	UIFIOLMHZQTEHB-UHFFFAOYSA-N	398.341	2.893	50	30	GFGC	
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)O[C@H]2CI	675054088	UBSZWEPBBFKRFB-JTQLQIEISA-N	395.237	2.754	50	30	GFGC	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	1035258	OZLHBFLCWLAECI-UHFFFAOYSA-N	377.400	2.898	50	30	GFGC	
CCOC(=O)N1CCC(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1	1039991	UFCPBZDCHUDSAT-FOWTUZBSSA-N	397.884	2.689	50	30	GFGC	
O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O	95861049	PFBILROIXJJFLK-HYARGMPZSA-N	394.367	2.562	50	30	GFGC	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)Nc1ccc(Cl)cc1	1038047	QUSSYWTVWPVLPZ-AWEZNQCLSA-N	390.852	2.996	50	30	GFGC	
Cc1c(Br)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nn1C	1047362	DBUXUBOLVIITDJ-UHFFFAOYSA-N	393.285	2.863	50	30	GFGC	
O=C(NNC(=O)c1ccc2nonc2c1)Nc1ccc(OC(F)(F)F)cc1	1040101	DLJGMLZXHYNXCF-UHFFFAOYSA-N	381.270	2.588	50	30	GFGC	
Cn1c(SCC(=O)NNC(=S)Nc2ccccc2)nnc1-c1ccccc1	13658628	LSBJWLIDHBSYRJ-UHFFFAOYSA-N	398.517	2.592	50	30	GFGC	
C=CCN/C(SCC(=O)c1cccc([N+](=O)[O-])c1)=C(\C#N)C(=O)OCC	20421252	OKTJMEKIBMHTIP-PEZBUJJGSA-N	375.406	2.585	50	30	GFGC	
Nc1c(C(=O)NNC(=S)Nc2ccc(Cl)cc2)cnn1-c1ccccc1	1033642	RGZYXKQJVGRXSK-UHFFFAOYSA-N	386.868	2.739	50	30	GFGC	
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100484077	VJAMBZRWYAAZSN-UHFFFAOYSA-N	394.208	2.897	50	30	GFGC	
COc1ccc(CC(=O)NNC(=S)Nc2cccc(SC)c2)cc1OC	1045986	CROMNWONFKDOHA-UHFFFAOYSA-N	391.518	2.986	50	30	GFGC	
COc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)cc(OC)c1OC	1040490	TWGATJFWDVYABE-UHFFFAOYSA-N	375.450	2.652	50	30	GFGC	
COC(=O)[C@H](Br)[C@]1(Br)OC(c2ccccc2)=CC1=O	33892488	AEHFFNDBTMLCOZ-WCQYABFASA-N	390.027	2.655	50	30	GFGC	
Cc1ccc(NC(=S)NNC(=O)c2nn(-c3ccccc3)nc2C)cc1C	1037874	QMCZXRCPPWSSLS-UHFFFAOYSA-N	380.477	2.824	50	30	GFGC	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCl)[C@H]1c1cccc([N+](=O)[O-])c1	33604935	HFLGCPOPFWAWDG-INIZCTEOSA-N	394.811	2.785	50	30	GFGC	
C[C@H]1CN(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1	4344643	HKIXDOKCIKPBIL-ZQVVPALOSA-N	385.283	2.697	50	30	GFGC	
COc1ccc(C(=O)NNC(=O)c2scc(Br)c2OC)cc1	1027155	UXZOBZPQLZKPEV-UHFFFAOYSA-N	385.239	2.603	50	30	GFGC	
Cc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1C1=NCCCN1	4305370	RRSVDHITNIQEBU-UHFFFAOYSA-N	381.505	2.675	50	30	GFGC	
CCOC(=O)C1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1	33384797	RMLORZYTXBFCQN-FOWTUZBSSA-N	382.869	2.754	50	30	GFGC	
O=C(NNC(=O)c1cnn(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1	1044535	OYBZNOHGIILDLX-UHFFFAOYSA-N	376.203	2.649	50	30	GFGC	
O=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1C1=NCCCN1	4322150	JMTZTWDIDDXABB-UHFFFAOYSA-N	387.896	2.711	50	30	GFGC	
CN(NC(=O)NC(=O)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1[N+](=O)[O-]	4300318	HFFGVUMPVVIZMF-UHFFFAOYSA-N	391.746	2.750	50	30	GFGC	
CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](CI)O2	757137976	PLDDVVMASFQIMA-LLVKDONJSA-N	397.253	2.607	50	30	GFGC	
CO[C@@H]1C(I)=C=C(C#N)C=C1I	1565504979	IBXCUUMWNLJYBT-QMMMGPOBSA-N	384.942	2.702	50	30	GFGC	
O=C(CCc1ccccc1)OC1=C(OC(=O)CCc2ccccc2)C(=O)OC1=O	95754710	CIMLPWNHKBNSGM-UHFFFAOYSA-N	394.379	2.633	50	30	GFGC	
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)NNC(=O)Nc1ccc(Cl)cc1	1042778	ADXCBAXYDZGKCV-UHFFFAOYSA-N	389.626	2.661	50	30	GFGC	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1nc(-c2cccs2)no1	4334051	FMENMQCDIWDIGW-UHFFFAOYSA-N	395.400	2.836	50	30	GFGC	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccccc1Cl	28771893	OPEGUGIFFOUHFX-CQSZACIVSA-N	375.837	2.604	50	30	GFGC	
CCOCc1ccc2c(NNC(=O)c3cnccn3)nc3cc(F)ccc3n12	1777699119	DKILUZKURKGBNA-UHFFFAOYSA-N	380.383	2.710	50	30	GFGC	
O=C(CCl)NCC1(O)CCN(c2ccc(OCc3ccccc3)cc2)CC1	98089995	CSSCFHFCYZLTRR-UHFFFAOYSA-N	388.895	2.952	50	30	GFGC	
COC(=O)[C@H](Br)[C@@]1(Br)OC(c2ccccc2)=CC1=O	33892484	AEHFFNDBTMLCOZ-AAEUAGOBSA-N	390.027	2.655	50	30	GFGC	
O=C(CSCCS(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	2150319	HUVBJCWUXGWTIB-XDHOZWIPSA-N	396.921	2.997	50	30	GFGC	
Cc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	254505244	ZTPFORIYWBNKCS-UHFFFAOYSA-N	385.489	2.546	50	30	GFGC	
Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1	629499	QPQGNQOKESVLFR-UHFFFAOYSA-N	386.477	2.564	50	30	GFGC	
CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1	12858943	OAGPXRDGHWECQV-CQSZACIVSA-N	392.315	2.838	50	30	GFGC	
Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NN=Cc3cccnc3)cs2)n1	254445828	DOODKGWOORLJSX-UHFFFAOYSA-N	380.355	2.815	50	30	GFGC	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCl)[C@@H]1c1cccc([N+](=O)[O-])c1	33604934	HFLGCPOPFWAWDG-MRXNPFEDSA-N	394.811	2.785	50	30	GFGC	
CN(C)NC(=O)NC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1047327	VOVYQJAOAFIZBH-UHFFFAOYSA-N	378.772	2.957	50	30	GFGC	
CC(C)(O)C(C)(C)OB(O)c1cc(C(F)(F)F)ccc1CBr	203629409	BMNPJNZVXWLMJF-UHFFFAOYSA-N	383.013	2.854	50	30	GFGC	
Cn1nnc(-c2ccc(-c3ccc(N4C[C@@H](CCl)OC4=O)cc3F)cn2)n1	203900891	XBEWJWSQISOVRV-GFCCVEGCSA-N	388.790	2.642	50	30	GFGC	
N#C/C(=C\N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1	20443650	FENUMIDTPJFJEO-CAPFRKAQSA-N	385.464	2.782	50	30	GFGC