smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[S@](=O)(=N/C=C(\C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	8648463	FZYINULLECZLGY-OHXYEUORSA-N	454.489	4.591	50	30	JJGC	
Cc1cc(NC(=S)NNC(=O)c2cccnc2Oc2ccccc2)ccc1Br	1036328	AVEOBSQKVNAPTA-UHFFFAOYSA-N	457.353	4.576	50	30	JJGC	
C=CCOC[C@H](Cl)COP(OC[C@H](Cl)COCC=C)OC[C@H](Cl)COCC=C	100072946	KIJPXDAIDVAZHQ-KURKYZTESA-N	479.765	4.693	50	30	JJGC	
CC(C)n1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc21	1047865	UTLAKIOVPUVATP-UHFFFAOYSA-N	470.904	4.843	50	30	JJGC	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CBr)C[C@]12C	31460293	NKQNWVOTGFLIDE-TZEHSYAMSA-N	451.401	4.640	50	30	JJGC	
CC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)Cl	504550399	CFLYOAVJFORAKJ-HZPDHXFCSA-N	479.433	4.509	50	30	JJGC	in-vitro
CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NNC(=S)Nc3ccc(Cl)c(Cl)c3)ccc12	1044933	NGGWYWOUGLDCSY-GFCCVEGCSA-N	494.400	4.837	50	30	JJGC	
O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)C(Cl)Cl)cc3)o2)cc1)C(Cl)Cl	1038854	LSJYSOHQZBILRW-UHFFFAOYSA-N	474.131	4.888	50	30	JJGC	
N#C/C(=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1	20443412	UCYAGGZJJZUNRZ-LKUDQCMESA-N	478.017	4.886	50	30	JJGC	
C=CCNC(=S)NNC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1N	8636729	KLCOCUDZJXBOLX-UHFFFAOYSA-N	477.977	4.692	50	30	JJGC	
Cc1ccc(C)n1-c1sc2c(c1C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)CCCC2	1027592	MIDYCJXPDQGJMO-UHFFFAOYSA-N	497.564	4.677	50	30	JJGC	
CO/N=C1\CCCc2c(C(=O)NNC(=O)Nc3ccc(OC(F)(F)F)cc3)sc(SC)c21	12367082	LIBJFTNKRZXHST-LGJNPRDNSA-N	488.513	4.522	50	30	JJGC	
O=P(c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F	59229634	MMDKBGZCHVGKCO-UHFFFAOYSA-N	458.191	4.717	50	30	JJGC	
O=C(CO/N=C/c1ccc(Cl)cc1Cl)NNC(=S)Nc1cc(Cl)ccc1Cl	3170035	LYZIGWMBPRMZJV-QPSGOUHRSA-N	466.177	4.669	50	30	JJGC	
CC(C)(C)c1cc(C(=O)NNC(=O)Nc2cccc3ccccc23)n(Cc2ccc(F)cc2)n1	1035931	CMGUXUGZAYGNCA-UHFFFAOYSA-N	459.525	4.988	50	30	JJGC	
C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C/C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@H](C)C1	255992278	OJCKRNPLOZHAOU-ZRRSQQMISA-N	489.653	4.636	50	30	JJGC	
C[Si](C)(C)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1	195810157	BRZXONFKPHDZOK-HUUCEWRRSA-N	467.498	4.627	50	30	JJGC	
O=C(NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)c1ccccc1CCCl	521399894	ZPPIUHKUCBAAJI-UHFFFAOYSA-N	464.791	4.657	50	30	JJGC	
O=Cc1cc(Br)ccc1O[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	263583823	BLLFLEXWBCJYNS-LMFCIFFHSA-N	465.185	4.677	50	30	JJGC	
Cc1ccc2nc(C(F)(F)F)cc(N3CCN(/C=C(/C#N)S(=O)(=O)c4cccs4)CC3)c2c1	100214414	POFMDCAFLZNCCS-PEZBUJJGSA-N	492.548	4.584	50	30	JJGC	
C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C/C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@@H](C)C[C@H](C)C1	255992277	OJCKRNPLOZHAOU-OZXPPCKRSA-N	489.653	4.636	50	30	JJGC	
Cc1nc(-c2nc(-c3c(C(=O)NNC(=O)Nc4cccc(Cl)c4)noc3C)cs2)cs1	3119959	BPEAWAGQVZSVPR-UHFFFAOYSA-N	474.955	4.658	50	30	JJGC	
O=Cc1cc(Br)ccc1O[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	100293916	BLLFLEXWBCJYNS-PPRPKMEESA-N	465.185	4.677	50	30	JJGC	
C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C/C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1	101640849	OJCKRNPLOZHAOU-XRYKIKGGSA-N	489.653	4.636	50	30	JJGC	
CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(=O)N[C@@H](CC)CO[Si](C)(C)C(C)(C)C	196148160	OGCNVHFVKJLKGM-ROUUACIJSA-N	460.808	4.820	50	30	JJGC	in-vitro
O=C(NNC(=O)c1csc(-c2ncc(C(F)(F)F)cc2Cl)n1)Nc1ccc(Cl)cc1	1035777	ATWJGODUSPRNQV-UHFFFAOYSA-N	476.267	4.997	50	30	JJGC	
CSc1sc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1S(=O)(=O)C(C)C	2153714	UZXXTBBHMJVAFK-UFWORHAWSA-N	451.422	4.723	50	30	JJGC	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1c(-c2ccccc2Cl)noc1C	1037200	DUHCLXJDBNWDLS-UHFFFAOYSA-N	471.300	4.995	50	30	JJGC	
CC[C@H](c1ccc(OC)cc1)[C@@H](NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	17121602	ONTFSPZNMFKTJV-AQFRJXDOSA-N	490.560	4.587	50	30	JJGC	
CN(C)CCO[P@](=O)(OC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195804382	FKHYFWRXDXRBHI-UPCLLVRISA-N	459.745	4.612	50	30	JJGC	
Nc1c(C(=O)N/N=C/c2cccnc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12	8636620	NTQZWJXCZACUHO-RWPZCVJISA-N	450.527	4.766	50	30	JJGC	
C=CCOC[C@H](Cl)COP(OC[C@@H](Cl)COCC=C)OC[C@@H](Cl)COCC=C	263589452	KIJPXDAIDVAZHQ-BZSNNMDCSA-N	479.765	4.693	50	30	JJGC	
C/C(=N\NC(=O)CSC1CN(C(c2ccccc2)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	63598868	KFTOZXUMBYDPOF-ZXVVBBHZSA-N	474.586	4.642	50	30	JJGC	
CN(C)CCO[P@](=O)(OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195804384	FKHYFWRXDXRBHI-VOIUYBSRSA-N	459.745	4.612	50	30	JJGC	
Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)NNC(=O)c1ccccc1C(F)(F)F	1035811	KHNGXFVHKDRHHE-UHFFFAOYSA-N	474.386	4.626	50	30	JJGC	
CCOC[C@H](Br)[C@H](Br)CCC[C@@H](Br)CBr	238290054	IRXPGRUNULOOSJ-BBBLOLIVSA-N	473.869	4.879	50	30	JJGC	
[N-]=[N+]=Nc1cc(O)c(C(=O)NCCSSc2ccccn2)cc1I	96331628	QQPKQOZILVRMHU-UHFFFAOYSA-N	473.321	4.504	50	30	JJGC	
CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(C)CO2)OC1	111893573	ILIAGSDZPCJDQR-UHFFFAOYSA-N	469.235	4.846	50	30	JJGC	
Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nn1-c1c(Cl)cc(Cl)cc1Cl	1047224	IJIVNAMVOAMXON-IFRROFPPSA-N	458.714	4.875	50	30	JJGC	
O=C(NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1	3137880	SIRPLMGOCVJUMW-UHFFFAOYSA-N	470.860	4.861	50	30	JJGC	
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CF)O1	4214514	OGZHZYVCWDUIJV-VSXGLTOVSA-N	489.386	4.860	50	30	JJGC	biogenic,in-man
c1ccc(P(C[C@H]2C[C@@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1	2539334	PQHKXSOICTYGQD-FUFSCUOVSA-N	453.506	4.983	50	30	JJGC	
CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccccc3C(F)(F)F)cc2n2ccccc12	254747389	CGEFEKBCYCSJGL-UHFFFAOYSA-N	483.446	4.817	50	30	JJGC	
O=C(CSCc1cccc2ccccc12)NNC(=S)Nc1ccc(OC(F)(F)F)cc1	8647828	TXIAOZJFKKWPSC-UHFFFAOYSA-N	465.522	4.989	50	30	JJGC	
Cc1c(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)sc2nc(-c3ccc(Cl)cc3)nn12	1032020	VWZJNEFQOIPAIS-UHFFFAOYSA-N	479.871	4.513	50	30	JJGC	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C	195955124	LUWQMPCKYNDDGB-DJIMGWMZSA-N	491.728	4.770	50	30	JJGC	
Nc1c(C(=O)NNC(=S)NCc2ccccc2)oc2nc(-c3ccccc3)cc(-c3ccco3)c12	8636938	HXNJRWIRZHPTDH-UHFFFAOYSA-N	483.553	4.646	50	30	JJGC	
Cn1nc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3ccc(C(F)(F)F)cn3)s2)cc1C(F)(F)F	6023679	DBDXECQFAWOZJC-WUXMJOGZSA-N	492.426	4.920	50	30	JJGC	
O=C(NN=Cc1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1	1082838537	PNLHNORRQFKKFF-UHFFFAOYSA-N	453.892	4.757	50	30	JJGC	
CCOC[C@H](Br)[C@@H](Br)CCC[C@@H](Br)CBr	238290037	IRXPGRUNULOOSJ-UTLUCORTSA-N	473.869	4.879	50	30	JJGC	
CN(C)CCCC(CNC(=O)N(CCCl)N=O)(c1ccc(F)cc1)c1ccc(F)cc1	33876151	YXERUDITAZTWMU-UHFFFAOYSA-N	452.933	4.525	50	30	JJGC	
CC(C)(C)c1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1	254795527	PILWHHVYXQWFCZ-UHFFFAOYSA-N	454.162	4.979	50	30	JJGC	
CC[C@@H](c1ccc(OC)cc1)[C@@H](NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	17121606	ONTFSPZNMFKTJV-UJGSPGELSA-N	490.560	4.587	50	30	JJGC	
COc1ccc(CC[N+](=O)[O-])c2c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC=C[C@]21CCOC(C)=O	2265352098	QFSYNHCKUNZIDD-ZWSUVBHBSA-N	491.657	4.817	50	30	JJGC	
CN(C)CCO[P@@](=O)(OC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195804381	FKHYFWRXDXRBHI-FYSMJZIKSA-N	459.745	4.612	50	30	JJGC	
CCOC[C@H](Br)[C@@H](Br)CCC[C@H](Br)CBr	100346859	IRXPGRUNULOOSJ-GUBZILKMSA-N	473.869	4.879	50	30	JJGC	
O=C(NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(OC(F)(F)F)cc1	12340385	DODFYSTWLMOAAN-UHFFFAOYSA-N	492.763	4.518	50	30	JJGC	
C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1	14096239	OJCKRNPLOZHAOU-ZMSRVCFESA-N	489.653	4.636	50	30	JJGC	
O=C(NNC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1)c1cccc(Cl)c1	1038752	NKQYQJFUNZIBCO-UHFFFAOYSA-N	455.845	4.714	50	30	JJGC	
c1ccc(P(c2ccccc2)[C@H]2CO[C@H]3[C@H]2OC[C@H]3P(c2ccccc2)c2ccccc2)cc1	108868706	CAQFAZUOBNAEFR-RLQUZOAZSA-N	482.500	4.787	50	30	JJGC	
O=Cc1cc(Br)ccc1O[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	2565102	BLLFLEXWBCJYNS-QRKUABHPSA-N	465.185	4.677	50	30	JJGC	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(-n3cccc3)c2C#N)cc(OC)c1OC	8626503	DEPONRWPBNMEAZ-CPNJWEJPSA-N	451.486	4.625	50	30	JJGC	
COc1cc(C(=O)Nc2ccc(/C(C#N)=C/c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC	3157748	DHEFDLODTLMNEC-VXLYETTFSA-N	458.470	4.758	50	30	JJGC	
Cc1nc(-c2nc(-c3c(C(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)noc3C)cs2)cs1	3119957	QXUPGXXSPMJVEW-UHFFFAOYSA-N	493.492	4.632	50	30	JJGC	
C=CCOC[C@@H](Cl)COP(OC[C@H](Cl)COCC=C)OC[C@H](Cl)COCC=C	100072947	KIJPXDAIDVAZHQ-KZNAEPCWSA-N	479.765	4.693	50	30	JJGC	
CC(=O)Oc1ccc([N+](=O)[O-])c(OC(C)=O)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	537751	YRPPAQRAYJVJOS-UHFFFAOYSA-N	494.300	4.735	50	30	JJGC	in-man
Cc1ccc2nc(C(F)(F)F)cc(N3CCN(/C=C(/C#N)S(=O)(=O)c4ccccc4)CC3)c2c1	20443658	SKIOEVQYQOYJBU-MNDPQUGUSA-N	486.519	4.523	50	30	JJGC	
CC(C)(C)c1cc(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1	1047714	OVVPEZJWIIZRSW-UHFFFAOYSA-N	459.472	4.714	50	30	JJGC	
COc1ccc2c(c1)sc(/N=N/c1ccc(N(CCCl)CCCl)cc1)[n+]2CCC(N)=O	100057129	UBBKGEYTYJYLIS-UHFFFAOYSA-O	481.429	4.772	50	30	JJGC	
C=CCOC[C@H](Cl)COP(OC[C@@H](Cl)COCC=C)OC[C@H](Cl)COCC=C	100072948	KIJPXDAIDVAZHQ-OKZBNKHCSA-N	479.765	4.693	50	30	JJGC	
Cc1nc(-c2nc(-c3c(C(=O)NNC(=O)Nc4c(C)cccc4C)noc3C)cs2)cs1	3119960	CZDUCHGPZVKFDP-UHFFFAOYSA-N	468.564	4.622	50	30	JJGC	
O=C(NNC(=O)c1csc(COc2ccc(C3SCCS3)cc2)n1)c1ccc(Cl)cc1	12369677	GKZMVBXTULJKHE-UHFFFAOYSA-N	492.047	4.929	50	30	JJGC	
Cc1onc(-c2ccccc2Cl)c1NC(=O)NNC(=O)c1c(-c2ccccc2)noc1C	1026810	GVSXCQHQFJWXAI-UHFFFAOYSA-N	451.870	4.733	50	30	JJGC	
CC[C@@H](c1ccc(OC)cc1)[C@H](NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	38796999	ONTFSPZNMFKTJV-GVKQVPGHSA-N	490.560	4.587	50	30	JJGC	
CN(NC(=O)c1ccc(Cl)s1)c1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl	1046947	ZATUDKSBSJHUTG-UHFFFAOYSA-N	464.161	4.689	50	30	JJGC	
C=C(CC[Si](OCC)(OCC)OCC)OC(=C)CC[Si](OCC)(OCC)OCC	604971580	ZAIMUPMNVCBVEO-UHFFFAOYSA-N	450.721	4.907	50	30	JJGC	
CN(C)CC(=O)Nc1ccc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c1	575440392	KIRMXYXWPGUZLM-INIZCTEOSA-N	476.964	4.510	50	30	JJGC	
Cn1nc(C(F)(F)F)cc1-c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1	6143272	GBZAXQMFLVWGPF-WUXMJOGZSA-N	492.426	4.920	50	30	JJGC	
COc1ccc(C(S[C@@H](C)C(=O)NCC(=O)OCCl)(c2ccccc2)c2ccccc2)cc1	2265369565	GZDOJCRITUKXJF-IBGZPJMESA-N	484.017	4.965	50	30	JJGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	3161683	ZCBOCCMVRXODBQ-OEAKJJBVSA-N	456.395	4.568	50	30	JJGC	
CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO[Si](C)(C)C)[C@@]4(C)C/C(=N/OC)[C@@H]3[C@@]2(C)CC1	217345644	CXWDTATULASHCI-YAYHQSNGSA-N	490.717	4.716	50	30	JJGC	
C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	1046642	YHOKABLYUMCERF-CQSZACIVSA-N	489.406	4.634	50	30	JJGC	
C[S@@](=O)(=N/C=C(\C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	12367252	FZYINULLECZLGY-ROWXLNAWSA-N	454.489	4.591	50	30	JJGC	
C[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	1046641	YHOKABLYUMCERF-AWEZNQCLSA-N	489.406	4.634	50	30	JJGC	
Cc1onc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1-c1csc(-c2ccccc2)n1	1047758	UPUIAEXWIJODFI-UHFFFAOYSA-N	453.911	4.893	50	30	JJGC	
O=C(NNC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1	1038751	UMGTXFUPLMXHDY-UHFFFAOYSA-N	455.845	4.714	50	30	JJGC	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)OCc3ccccc3)cc([N+](=O)[O-])cc21	3138277	WCPQIAAPQPKGEM-UHFFFAOYSA-N	452.382	4.689	50	30	JJGC	
CCOC[C@H](Br)[C@H](Br)CCC[C@H](Br)CBr	100346853	IRXPGRUNULOOSJ-AEJSXWLSSA-N	473.869	4.879	50	30	JJGC	
CCOC(=O)c1ccc(NC(=S)NNC(=O)CSCc2c(C)c(C)c(C)c(C)c2C)cc1	8618025	NNLQRNBRNJNQCD-UHFFFAOYSA-N	473.664	4.656	50	30	JJGC	
O=C(NNC(=O)c1ccccc1C(F)(F)F)c1csc(-c2ncc(C(F)(F)F)cc2Cl)n1	3126381	OFSCKIRJYFUTOX-UHFFFAOYSA-N	494.804	4.971	50	30	JJGC	
COc1ccc(C(S[C@H](C)C(=O)NCC(=O)OCCl)(c2ccccc2)c2ccccc2)cc1	2265369566	GZDOJCRITUKXJF-LJQANCHMSA-N	484.017	4.965	50	30	JJGC	
CC[C@H](c1ccc(OC)cc1)[C@H](NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	38797002	ONTFSPZNMFKTJV-XJBYNFFZSA-N	490.560	4.587	50	30	JJGC	
O=C(Cc1csc(-c2cccc(-n3cccc3)c2)n1)NNC(=O)c1ccc(C(F)(F)F)cc1	1047400	ZOHGTVWYSZTXAN-UHFFFAOYSA-N	470.476	4.623	50	30	JJGC	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	1046864	PCZAIEHYGOTDMK-UHFFFAOYSA-N	476.272	4.777	50	30	JJGC	
CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NNC(=S)Nc3ccc(Cl)c(Cl)c3)ccc12	1044932	NGGWYWOUGLDCSY-LBPRGKRZSA-N	494.400	4.837	50	30	JJGC	
CN(C)CCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195804383	FKHYFWRXDXRBHI-GYCJOSAFSA-N	459.745	4.612	50	30	JJGC