smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1ccc(NC(N)=O)cc1	137618	CXKLKKJQZBAPFT-KPKJPENVSA-N	332.190	4.548	50	30	EJGC	
Fc1c(CBr)ccc(Br)c1C(F)(F)F	575687532	CUCKCNJOIABROK-UHFFFAOYSA-N	335.920	4.502	50	30	EJGC	
O=C(NNc1ccc(F)cc1F)c1sc2ccccc2c1Cl	152321	PBZANQOTQDBNCA-UHFFFAOYSA-N	338.766	4.590	50	30	EJGC	
CCCCCCCCCCSSc1nc(N)nc2nc[nH]c12	100312529	WKDWUXFAXWOTLI-UHFFFAOYSA-N	339.534	4.816	50	30	EJGC	
Cc1ccc(S/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	165871	FFRSDDMVDCUFPX-LFIBNONCSA-N	349.864	4.579	50	30	EJGC	
Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(C)C)cc1	147733	AQJMOOAHSIITGP-UHFFFAOYSA-N	335.407	4.530	50	30	EJGC	
C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)N1CCCC1	223756335	WMXDMIAAMYSEJB-UHFFFAOYSA-N	325.528	4.835	50	30	EJGC	
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1ccccc1	4362832	GHLUCMZBXUUEKI-XDJHFCHBSA-N	339.419	4.938	50	30	EJGC	
COc1ccc(N=c2scc(CCl)n2Cc2ccccc2)cc1	254292881	CIUZMUDSHQDEPC-UHFFFAOYSA-N	344.867	4.578	50	30	EJGC	
CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CO1	195852591	OVWGYSVCUPQCHF-UHFFFAOYSA-N	332.633	4.799	50	30	EJGC	
N#CC(C(=O)c1cccc(C(F)(F)F)c1)=C1SCCCCS1	149547	NKKOWYBSDLRCOZ-UHFFFAOYSA-N	343.395	4.883	50	30	EJGC	
CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C	5821464	KGMBZDZHRAFLBY-UHFFFAOYSA-N	325.880	4.639	50	30	EJGC	
CCOC(=O)/C(C#N)=C/c1ccccc1Sc1ccc(Cl)cc1	120540	NFKXPPCUHYQUDH-SDNWHVSQSA-N	343.835	4.961	50	30	EJGC	
CC(C)(C)c1ccc(O[C@@H]2CCCC[C@H]2O[S@@](=O)Cl)cc1	195751655	WAAUJYWIXWENKQ-VTJXTGGHSA-N	330.877	4.508	50	30	EJGC	
Cc1cccc(C=NNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1	13142258	QLNBBJPZXKTDNN-UHFFFAOYSA-N	346.455	4.586	50	30	EJGC	aggregator
Fc1cc(Br)c(C(F)(F)F)cc1CBr	575688829	TUMGEGMUWQLJNT-UHFFFAOYSA-N	335.920	4.502	50	30	EJGC	
Cc1ccc(NNC(=O)c2sc3ccccc3c2Cl)cc1C	151837	AHWZEBTYJCMUDC-UHFFFAOYSA-N	330.840	4.928	50	30	EJGC	
Cc1ccc(NNC(=O)c2sc3ccccc3c2Cl)c(C)c1	151500	IHRBXIHJJPWLIS-UHFFFAOYSA-N	330.840	4.928	50	30	EJGC	
Fc1cc(CBr)c(Br)c(C(F)(F)F)c1	575690069	USAGTTPJXPLQDJ-UHFFFAOYSA-N	335.920	4.502	50	30	EJGC	
Cc1ccc(N/C=C(\C#N)C(=O)c2ccccc2OC(F)(F)F)cc1	6546457	YHFXARUIBXDELQ-ACCUITESSA-N	346.308	4.596	50	30	EJGC	
Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(C)(C)C)cc1	153277	MNLWGGZIEGVRFP-UHFFFAOYSA-N	349.434	4.704	50	30	EJGC	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1	4344610	XOLASZJZNBEKOZ-MHWRWJLKSA-N	333.387	4.503	50	30	EJGC	
N#C/C(=C\c1ccc(C#Cc2ccccc2)cc1)C(=O)c1cccs1	4362641	IWLGNMNFOHVAEA-HMMYKYKNSA-N	339.419	4.938	50	30	EJGC	
CC(C)(C)c1ccc(O[C@@H]2CCCC[C@@H]2O[S@@](=O)Cl)cc1	195751653	WAAUJYWIXWENKQ-LRAJWGHMSA-N	330.877	4.508	50	30	EJGC	
O=C(NNc1cc(Cl)ccc1Cl)c1c(F)cccc1Cl	146614	MSRYJJRXVYYSKE-UHFFFAOYSA-N	333.577	4.543	50	30	EJGC	
Cc1cc(C)c([P@@](=O)(C(=O)c2ccccc2)c2ccccc2)c(C)c1	106120299	JCKKYVXBSIEFPY-RUZDIDTESA-N	348.382	4.766	50	30	EJGC	
CCOC(=O)/C(C#N)=C/c1ccc(-c2nccs2)cc1C(C)(C)C	126424	ISTDYADOBZHZHM-XNTDXEJSSA-N	340.448	4.578	50	30	EJGC	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c(F)cccc1Cl	153028	KVKUHZAPJTVUSR-UHFFFAOYSA-N	333.577	4.543	50	30	EJGC	
CC(C)(C)c1ccc(O[C@@H]2CCCC[C@H]2O[S@@](=O)Cl)cc1	111332341	WAAUJYWIXWENKQ-PZPWOCDFSA-N	330.877	4.508	50	30	EJGC	
CC(C)(C)[Si](C)(C)OCCCCCI	197045861	BLWAIPMPRTUOSB-UHFFFAOYSA-N	328.310	4.614	50	30	EJGC	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccc2s1	147140	VVQNNZUPHGGHEE-UHFFFAOYSA-N	336.338	4.677	50	30	EJGC	
O=C(O)CCCCCOCCCCCOCCCCCCCl	1592055919	OQJKEIAYDXGLTG-UHFFFAOYSA-N	336.900	4.634	50	30	EJGC	
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1cccs1	4362924	JTDIMFIRMMUSMZ-DTQAZKPQSA-N	345.448	4.999	50	30	EJGC	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)OCc1ccccc1	12368549	FHTRBTMXBVXEDB-RIYZIHGNSA-N	332.186	4.644	50	30	EJGC	
C[C@@H](Br)c1ccc(Br)cc1C(F)(F)F	238405600	JRHZPCCAWPOBFH-RXMQYKEDSA-N	331.957	4.924	50	30	EJGC	
C1=C(c2ccccc2)C[C@@]2(c3ccccc3)OOC3(CCCC3)O[C@@H]12	24586	IIBNWGMRDCFPEU-UNMCSNQZSA-N	334.415	4.987	50	30	EJGC	
CN(C)C=CC(=O)c1ccc(C(C#N)=Cc2ccc(Cl)cc2)s1	2265279166	WWHUMLRFUMZCKK-UHFFFAOYSA-N	342.851	4.724	50	30	EJGC	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1	4351195	GZUPLZUEMMQFEL-XNTDXEJSSA-N	331.293	4.684	50	30	EJGC	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1	93574	RUAQIBPYCFKAOL-ZHACJKMWSA-N	328.297	4.558	50	30	EJGC	
CCCSC(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2019213	MFALETYLLPRSRG-SECBINFHSA-N	342.373	4.659	50	30	EJGC	
CCN(CC)C(=O)c1ccc([C@H](Cl)c2cccc(OC)c2)cc1	22062253	NIXSYJJSVJJTJX-SFHVURJKSA-N	331.843	4.505	50	30	EJGC	in-vitro
N#C/C(=C\c1ccc(C#Cc2ccccc2)cc1)C(=O)c1ccccc1	4362653	GSRWNBJIEXPYQD-HAVVHWLPSA-N	333.390	4.876	50	30	EJGC	
O=C(NNc1cc(Cl)ccc1Cl)c1cc2ccccc2s1	146613	SXFLEHWCRBOTFW-UHFFFAOYSA-N	337.231	4.965	50	30	EJGC	
O=P(c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	111877982	FOIPESFJJNAWLG-UHFFFAOYSA-N	347.181	4.633	50	30	EJGC	
CN(C)/C=C(\C#N)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	92426	BFDGNXIWVJAVCJ-RVDMUPIBSA-N	347.245	4.998	50	30	EJGC	
CC(C)(C)OOC(=O)CCCCCCCCC(=O)OOC(C)(C)C	111398248	SKHDZVWVWFGQLI-UHFFFAOYSA-N	346.464	4.654	50	30	EJGC	
Cc1cccc(C(=O)Oc2ccc(/C=C(\C#N)c3ccccn3)cc2)c1	4347853	QUHRHXUXNVZYIZ-XMHGGMMESA-N	340.382	4.673	50	30	EJGC	
CCC(=O)[C@H](Br)Cc1ccc(Cl)cc1C(F)(F)F	52229048	KFZRHPJUTGVIAT-SNVBAGLBSA-N	343.570	4.644	50	30	EJGC	
CN(C)c1ccc(/C=C/C=C(\C#N)c2nc3ccccc3s2)cc1	39440268	QTBLSLSGZBLXPO-OWRQJNCQSA-N	331.444	4.983	50	30	EJGC	
Cc1ccc(N/C=C(\C#N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1	2156805	JAMDFCAYKLKEFK-SDNWHVSQSA-N	346.308	4.596	50	30	EJGC	
CCCSC(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2019212	MFALETYLLPRSRG-VIFPVBQESA-N	342.373	4.659	50	30	EJGC	
CC1=C(C#N)[C@@H](c2sc3ccccc3c2C)C2=C(CCCC2=O)N1	19834817	ZTLLHQRLYMJACD-GOSISDBHSA-N	334.444	4.701	50	30	EJGC	
N#C/C(=C\c1cc(C#Cc2ccccc2)cs1)C(=O)c1ccccc1	4362694	JEHQIZJWBRTFRI-XSFVSMFZSA-N	339.419	4.938	50	30	EJGC	
C/C(=C\c1csc(C)n1)[C@H](CCO)O[Si](C)(C)C(C)(C)C	195812701	WQQIQHITWPPXOO-PABFRNLHSA-N	327.566	4.628	50	30	EJGC	in-vitro
O=C(NNc1c(Cl)cccc1Cl)c1c(F)cccc1Cl	152992	YVHXBAKYSIZEMK-UHFFFAOYSA-N	333.577	4.543	50	30	EJGC	
CC1=C(C#N)[C@H](c2sc3ccccc3c2C)C2=C(CCCC2=O)N1	19834819	ZTLLHQRLYMJACD-SFHVURJKSA-N	334.444	4.701	50	30	EJGC	
CC(C)(C)[Si](C)(C)Oc1c(Br)cccc1[N+](=O)[O-]	204595136	OPLIAJIMUBUOLW-UHFFFAOYSA-N	332.270	4.741	50	30	EJGC	
COC(=O)c1cc(CCO[Si](C)(C)C(C)(C)C)ccc1Cl	1775953511	DCRDWSIUNFHTHC-UHFFFAOYSA-N	328.912	4.691	50	30	EJGC	
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1ccco1	4362929	XAXLAPUXXJEQFU-DTQAZKPQSA-N	329.380	4.531	50	30	EJGC	
CC(C)(C)c1ccc(O[C@@H]2CCCC[C@@H]2O[S@@](=O)Cl)cc1	111332337	WAAUJYWIXWENKQ-WIEQDCTASA-N	330.877	4.508	50	30	EJGC	
CCC(=O)[C@@H](Br)Cc1ccc(Cl)cc1C(F)(F)F	52229050	KFZRHPJUTGVIAT-JTQLQIEISA-N	343.570	4.644	50	30	EJGC	
CN(C)C1=Cc2ccccc2[C@@H]1P(c1ccccc1)c1ccccc1	105467819	NEKUSEFNLYUXNM-QHCPKHFHSA-N	343.410	4.777	50	30	EJGC	
N#C/C(=C\c1cc(C#Cc2ccccc2)cs1)C(=O)c1cccs1	4362728	FSRCTLXRPVZBFW-SFQUDFHCSA-N	345.448	4.999	50	30	EJGC	
C[C@H](Br)c1ccc(Br)cc1C(F)(F)F	238409395	JRHZPCCAWPOBFH-YFKPBYRVSA-N	331.957	4.924	50	30	EJGC	
CCN(CC)C(=O)c1ccc([C@@H](Cl)c2cccc(OC)c2)cc1	22062251	NIXSYJJSVJJTJX-GOSISDBHSA-N	331.843	4.505	50	30	EJGC	in-vitro
Cc1cc(C)c([P@](=O)(C(=O)c2ccccc2)c2ccccc2)c(C)c1	106120294	JCKKYVXBSIEFPY-VWLOTQADSA-N	348.382	4.766	50	30	EJGC	
CN(C)C1=Cc2ccccc2[C@H]1P(c1ccccc1)c1ccccc1	105467823	NEKUSEFNLYUXNM-HSZRJFAPSA-N	343.410	4.777	50	30	EJGC	
N#C/C(=C\c1cc(C#Cc2ccccc2)cs1)C(=O)c1ccco1	4362725	AIGJPCVVXNYNMO-SFQUDFHCSA-N	329.380	4.531	50	30	EJGC