smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c1	43307511	VOKDNZNHYBZQDV-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1NC(C)=O	216648591	LIEXEGXPLLMUSD-SFHVURJKSA-N	470.551	3.580	70	40	JHIB	
CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1	217513006	RWISOSJGNMQOPH-MNXNNCHOSA-N	460.530	3.842	70	40	JHIB	
CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1	217512844	RWISOSJGNMQOPH-JCFZMMPSSA-N	460.530	3.842	70	40	JHIB	
O=C(COc1ccc(Cl)cc1)NCc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	104170707	CJQWPMRQZNCSPC-UHFFFAOYSA-N	476.913	3.946	70	40	JHIB	
O=C(COc1ccc(Cl)c(Cl)c1)NCCc1cc[n+](Cc2ccc(S(=O)(=O)F)cc2)cc1	104169345	ZUEUAVPXEHHTQQ-UHFFFAOYSA-O	498.383	3.725	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4C)o3)C2)cc1NC(C)=O	216646377	CDALHAYYTAJCPB-KRWDZBQOSA-N	470.551	3.580	70	40	JHIB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5Sc6[nH]c(=O)sc6[C@@H](c6cccnc6)[C@@H]45)[C@@H]3C2=O)cc1	217633509	TVTGEORQWNVVGJ-NXZWVFBWSA-N	475.595	3.818	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1	43871576	WORSOQASSXRRAK-UHFFFAOYSA-N	472.373	3.622	70	40	JHIB	
COc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)o2)c1	216634809	PVGWNQWJYDZFQA-UHFFFAOYSA-N	463.943	3.976	70	40	JHIB	
O=S(=O)(F)C[C@H](Oc1ccccc1)SCCS[C@H](CS(=O)(=O)F)Oc1ccccc1	100096346	YSVVDHOTEZQVFW-QZTJIDSGSA-N	498.616	3.862	70	40	JHIB	
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216870712	FREQULBGUMHKLP-UHFFFAOYSA-N	450.004	3.653	70	40	JHIB	
COC(=O)C([C@H](C[N+](=O)[O-])c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	104127234	GKSVDMNRPGWCRK-XMMPIXPASA-N	473.465	3.979	70	40	JHIB	
O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccccc1Cl	217422132	BCDVGQWAFOOXQT-DLBZAZTESA-N	483.977	3.562	70	40	JHIB	
CN1CCC(Oc2ccc(CNC(=O)c3ccc(I)cc3)cc2)CC1	216931947	FSHJCMYHPUVNTF-UHFFFAOYSA-N	450.320	3.694	70	40	JHIB	
COc1cccc2cc(C(=O)Nc3ccc(N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)nc3)oc12	217552617	AHGYNLDSGIJTOP-FUHWJXTLSA-N	456.502	3.874	70	40	JHIB	
Nc1ncnc2[nH]c(SCc3cccc(NC(=O)Nc4cccc(S(=O)(=O)F)c4)c3)nc12	104169746	OHUUEORVDHRAHG-UHFFFAOYSA-N	473.515	3.530	70	40	JHIB	
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	104124768	AHTAUULLRLJLBI-UHFFFAOYSA-N	494.980	3.564	70	40	JHIB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccc(Cl)cc2)c(C)c1	216809261	JBSXHKJKJMVGES-UHFFFAOYSA-N	478.058	3.667	70	40	JHIB	
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c(=O)c2cc3c(cc21)OCO3	218095710	HJDYTPQRSBDNJD-VGYAKCNGSA-N	475.589	3.785	70	40	JHIB	
COc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1OC	100027041	PTOGAYJXGNSGOS-UHFFFAOYSA-N	452.743	3.911	70	40	JHIB	
COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1	216784970	NRAKOEKEULWQMG-UHFFFAOYSA-N	491.919	3.556	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(S(=O)(=O)F)cc2)cc1	43307579	VNYWLJDMMFVHSV-UHFFFAOYSA-N	459.591	3.876	70	40	JHIB	
CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1	217512922	RWISOSJGNMQOPH-RXUDAPAJSA-N	460.530	3.842	70	40	JHIB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)c(Cl)c2)cc1	217022065	LFNXJVCINPBPML-UHFFFAOYSA-N	450.004	3.911	70	40	JHIB	
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c(=O)c2cc3c(cc21)OCO3	218095778	HJDYTPQRSBDNJD-RLSPIHMPSA-N	475.589	3.785	70	40	JHIB	
Cl[Si](O[Si](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	169839466	YQULWRCMYAXEAV-UHFFFAOYSA-N	451.501	3.994	70	40	JHIB	
COc1ccc(/C=C/C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)nc2)c(OC)c1	217550205	VLJZAEXJTYCJCM-NGNRUMAMSA-N	472.545	3.536	70	40	JHIB	
O=C1[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccc(O)cc5)[C@@H]34)[C@@H]2C(=O)N1c1ccccc1	217604789	ROBUBRPOHAZESY-NXZWVFBWSA-N	476.579	3.820	70	40	JHIB	
COc1ccc(/C=C/C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)nc2)cc1OC	217549791	WDJWVTNAKCSMBP-ZFYMRNONSA-N	472.545	3.536	70	40	JHIB	
O=C1[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccc(O)cc5)[C@H]34)[C@@H]2C(=O)N1c1ccccc1	217604885	ROBUBRPOHAZESY-ABHMGBDOSA-N	476.579	3.820	70	40	JHIB	
Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216878456	TXKUFCRCKSRKCO-UHFFFAOYSA-N	450.004	3.960	70	40	JHIB	
CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216877688	VGDBHEINADSWOC-UHFFFAOYSA-N	450.004	3.653	70	40	JHIB	
COc1cccc2cc(-c3ccc(OCC(=O)N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)cc3)c(=O)oc12	218059339	GQRUIQCTCUHKPP-GHTZIAJQSA-N	498.535	3.655	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4C)o3)C2)cc1NC(C)=O	216646333	CDALHAYYTAJCPB-QGZVFWFLSA-N	470.551	3.580	70	40	JHIB	
O=C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)O)c1ccccc1	100714288	VMVURMFRVBWQIQ-UHFFFAOYSA-N	460.491	3.881	70	40	JHIB	
O=C(Cc1cn(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc12)N1CCCCCC1	217528950	QQGAORAAWOGFMB-JTHBVZDNSA-N	458.606	3.825	70	40	JHIB	
COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)o2)cc1	216655280	VDWQPMCHAWOPGW-OAHLLOKOSA-N	463.943	3.976	70	40	JHIB	
CN1CCC(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	216939838	ODRLKJJZACXWGZ-UHFFFAOYSA-N	450.004	3.627	70	40	JHIB	
CN1CCC(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	216803692	JHQRWGLEWRMFNR-UHFFFAOYSA-N	488.412	3.534	70	40	JHIB	
COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)o2)cc1	216655327	VDWQPMCHAWOPGW-HNNXBMFYSA-N	463.943	3.976	70	40	JHIB	
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216785221	ABRDFDBDGLDOQC-UHFFFAOYSA-N	481.574	3.676	70	40	JHIB	
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2CCN(C)CC2)ccc1Cl	216940779	UQKZNVOEJGYTII-UHFFFAOYSA-N	450.004	3.911	70	40	JHIB	
CC1(C)N=CNC(=N)N1c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	104169110	KNSAYJLVQSQHRB-UHFFFAOYSA-N	465.938	3.678	70	40	JHIB	
COc1ccc(-c2coc3cc(OCC(=O)N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)ccc3c2=O)cc1	217532230	VHYAASJTONFPRW-AZUAARDMSA-N	498.535	3.655	70	40	JHIB	
COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)CN1C	217720461	CZSNLUMFYPBMKZ-WMEMMNBJSA-N	474.488	3.939	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1	216788240	HXQMSKKFDMUSHQ-UHFFFAOYSA-N	481.574	3.676	70	40	JHIB	
CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1	217984278	PXSKUBSCMWNIPS-DQUFFZNGSA-N	489.660	3.984	70	40	JHIB	
COc1cccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)o2)c1	216653003	LITWQOVRBSGOIV-HNNXBMFYSA-N	463.943	3.976	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	43833930	LQSODZJZOSIJIX-UHFFFAOYSA-N	472.373	3.622	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c1	43845607	FWXSKQKTXSXNAF-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
COc1ccccc1-c1nnc([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)o1	216650758	HXSAFHTXUCDWLB-AWEZNQCLSA-N	463.943	3.976	70	40	JHIB	
CN1CCC(Oc2ccc(CNC(=O)c3ccccc3I)cc2)CC1	216932055	LFBYOMOQZWDOLP-UHFFFAOYSA-N	450.320	3.694	70	40	JHIB	
Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21	217532424	FTDLLNORSWXINE-OULXKFTJSA-N	492.579	3.757	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2cccc(S(=O)(=O)F)c2)c(Cl)c1	44181853	XQQDBGQOOHDDFC-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	216787968	CYAZRNNSXWYKFW-UHFFFAOYSA-N	491.919	3.556	70	40	JHIB	
O=S(=O)(Oc1c(Cl)cc(Br)cc1I)C(F)(F)F	103625116	YIBFBAPQWHDLED-UHFFFAOYSA-N	465.412	3.936	70	40	JHIB	
O=S(=O)(Cl)N1CCC[C@@H](c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)C1	1505838459	SRWCODFIGZDTPD-MRVPVSSYSA-N	452.776	3.823	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)c(Cl)c2)c1	43307596	CPIZNVKCRSRNEQ-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5Sc6[nH]c(=O)sc6[C@H](c6cccnc6)[C@@H]45)[C@@H]3C2=O)cc1	217633416	TVTGEORQWNVVGJ-AIFSHUDHSA-N	475.595	3.818	70	40	JHIB	
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccc(Cl)cc2Cl)cc1	216804808	MIYKNNSDCGGNRC-UHFFFAOYSA-N	484.449	3.703	70	40	JHIB	
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CCN(C)CC1	216794521	GKJCCNNTGJIVDX-UHFFFAOYSA-N	494.617	3.781	70	40	JHIB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)cc2Cl)cc1	217022459	CZKFCIPQVQSCRX-UHFFFAOYSA-N	450.004	3.911	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	44201686	CISCHMLRTADWCE-UHFFFAOYSA-N	472.373	3.622	70	40	JHIB	
COC(=O)C([C@@H](C[N+](=O)[O-])c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	104127231	GKSVDMNRPGWCRK-DEOSSOPVSA-N	473.465	3.979	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(CCCCc2ccc(S(=O)(=O)F)cc2)c1	43300470	UNPYAIBSBRQQBR-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217508997	JFNMDBVMRGQXAH-HRCADAONSA-N	480.948	3.510	70	40	JHIB	
O=S(=O)(Cl)N1CCC[C@H](c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)C1	1505838460	SRWCODFIGZDTPD-QMMMGPOBSA-N	452.776	3.823	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2S(=O)(=O)F)c(Cl)c1	43307569	QTRXPJLNGNXMDJ-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
COc1ccccc1-c1nnc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)o1	216650712	HXSAFHTXUCDWLB-CQSZACIVSA-N	463.943	3.976	70	40	JHIB	
O=S(=O)(F)C[C@@H](Oc1ccccc1)SCCS[C@H](CS(=O)(=O)F)Oc1ccccc1	100096342	YSVVDHOTEZQVFW-HDICACEKSA-N	498.616	3.862	70	40	JHIB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5Sc6[nH]c(=O)sc6[C@@H](c6cccnc6)[C@H]45)[C@@H]3C2=O)cc1	217370689	TVTGEORQWNVVGJ-KSLKBLKXSA-N	475.595	3.818	70	40	JHIB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5Sc6[nH]c(=O)sc6[C@H](c6cccnc6)[C@H]45)[C@@H]3C2=O)cc1	217633333	TVTGEORQWNVVGJ-ABHMGBDOSA-N	475.595	3.818	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1NC(C)=O	216631364	WDMHRPJPCCEOGW-UHFFFAOYSA-N	470.551	3.580	70	40	JHIB	
Nc1ncc(CCCCc2ccc(NC(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)c(N)n1	100535243	HARCCCSZDCSXJF-UHFFFAOYSA-N	458.519	3.509	70	40	JHIB	
O=S(=O)(F)C[C@@H](Oc1ccccc1)SCCS[C@@H](CS(=O)(=O)F)Oc1ccccc1	100096345	YSVVDHOTEZQVFW-ROUUACIJSA-N	498.616	3.862	70	40	JHIB	
COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)o1	216633645	DNCCBHPIGIJELH-UHFFFAOYSA-N	463.943	3.976	70	40	JHIB	
O=C(COc1cccc(Cl)c1)NCc1ccccc1NC(=O)c1ccc(S(=O)(=O)F)cc1	104170628	XKOKYJLKWYTNIN-UHFFFAOYSA-N	476.913	3.946	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	43307516	TWCRDMVGDPFTHE-UHFFFAOYSA-N	472.373	3.622	70	40	JHIB	
N#Cc1ccc(CN(c2ccc3ccnc(O)c3c2)S(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	1535645123	VDEDGNULGMBOAN-UHFFFAOYSA-N	497.529	3.866	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1NC(C)=O	216648542	LIEXEGXPLLMUSD-GOSISDBHSA-N	470.551	3.580	70	40	JHIB	
O=C(COc1cccc(Cl)c1)NCc1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	104170575	OCOBAVFEDHKYND-UHFFFAOYSA-N	476.913	3.946	70	40	JHIB	
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccc(Cl)c(Cl)c2)cc1	216801592	FNPQOESXASPGKP-UHFFFAOYSA-N	484.449	3.703	70	40	JHIB	
C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217509079	JFNMDBVMRGQXAH-OWCLPIDISA-N	480.948	3.510	70	40	JHIB	
Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	216871128	FGJWFKUACJEBII-UHFFFAOYSA-N	450.004	3.960	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	43834616	HMQJZZWMKDLIAZ-UHFFFAOYSA-N	472.373	3.622	70	40	JHIB	
O=C1[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccc(O)cc5)[C@H]34)[C@@H]2C(=O)N1c1ccccc1	217376257	ROBUBRPOHAZESY-KSLKBLKXSA-N	476.579	3.820	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	43300593	JDKSXAPFLFCYJH-UHFFFAOYSA-N	465.982	3.749	70	40	JHIB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC3CCN(C)CC3)c2)cc1	217021870	CNZRNASPWKSHEQ-UHFFFAOYSA-N	450.004	3.911	70	40	JHIB	
COc1cccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)o2)c1	216652955	LITWQOVRBSGOIV-OAHLLOKOSA-N	463.943	3.976	70	40	JHIB	
CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1	217512759	RWISOSJGNMQOPH-DUJKHBGSSA-N	460.530	3.842	70	40	JHIB	
CCOC(=O)NC(/C(C)=N/C(N)=S)=P(c1ccccc1)(c1ccccc1)c1ccccc1	102618816	HRGONWBTXSHITD-ZXVVBBHZSA-N	463.543	3.561	70	40	JHIB	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	104086451	SOVKDLYZGIHMIW-UHFFFAOYSA-N	480.470	3.508	70	40	JHIB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3CCN(C)CC3)ccc2Cl)c1	216940805	VBCWNOBCSXVSNF-UHFFFAOYSA-N	450.004	3.911	70	40	JHIB	
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3)[C@H]4C2=O)cc1	217699239	UPBXAQFPCNVUHZ-XQEJKAPUSA-N	452.938	3.508	70	40	JHIB	
CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	216878579	RPJCTCWJWCQUJK-UHFFFAOYSA-N	450.004	3.871	70	40	JHIB	
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1NC(C)=O	216632643	DOHDZRUJARFUHV-UHFFFAOYSA-N	470.551	3.580	70	40	JHIB	
CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cccnc2Cl)c1	217576303	LHEQZKLLPKVGET-FUHWJXTLSA-N	491.979	3.522	70	40	JHIB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3CCN(C)CC3)ccc2Cl)cc1	216940863	RCDNDFJSUDEEEK-UHFFFAOYSA-N	450.004	3.911	70	40	JHIB	
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	43860881	UVAJEXZOXPOFPB-UHFFFAOYSA-N	472.373	3.622	70	40	JHIB