smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1N1CCN(C)CC1	216789868	HEILYIGRVOFJSO-UHFFFAOYSA-N	403.508	0.672	70	40	HCIB	
COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCN(C)CC1	216783756	NCISYVSGOQCJOM-UHFFFAOYSA-N	404.492	0.956	70	40	HCIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCCN3CCOCC3)[C@H]4C2=O)no1	217730202	GHZSPGZWEJTJBZ-FKKBTLCVSA-N	402.451	0.108	70	40	HCIB	
CCS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCN(C)CC2)Oc2ccccc21	216950017	PDJBTKMEIVACIW-SFHVURJKSA-N	410.540	0.357	70	40	HCIB	
COc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1	218564817	OHJIYFFMNWFHMZ-UHFFFAOYSA-N	423.495	0.880	70	40	HCIB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O	218485852	FHYGWYCHPXTQEF-CYBMUJFWSA-N	419.931	0.952	70	40	HCIB	
Cc1ccc(C)c(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)c1	100844651	LLVQYAHDUYRBEG-UHFFFAOYSA-N	405.466	0.893	70	40	HCIB	
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c(OC)c1OC	218563629	QCYLUKRVNLEXJT-UHFFFAOYSA-N	415.512	0.847	70	40	HCIB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)c(Cl)c1	216838262	IAISFFQAENVJBQ-UHFFFAOYSA-N	419.931	0.854	70	40	HCIB	
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	217802423	YTZDNNBTDXDMLI-QLDGJZPUSA-N	423.425	0.874	70	40	HCIB	
Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)cc1C	96022787	NFPOCMWFQBCTDO-UHFFFAOYSA-N	405.466	0.893	70	40	HCIB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCn3ccnc3)cc2)CC1	216886462	CUJNTZJNIITFQC-UHFFFAOYSA-N	405.524	0.780	70	40	HCIB	
CNS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1N1CCN(C)CC1	216789996	PKNGHVBAJRSKQY-UHFFFAOYSA-N	403.508	0.672	70	40	HCIB	
COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1C(=O)NC(C)C	216949925	RJLGGAMZVJOFCV-UHFFFAOYSA-N	412.556	0.749	70	40	HCIB	
COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)CC1	216864837	GQJFVMHGLGSJAV-UHFFFAOYSA-N	423.535	0.956	70	40	HCIB	
CN1CCN(CCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1	217030823	XVJQSRZHXYALRL-UHFFFAOYSA-N	408.524	0.365	70	40	HCIB	
O=C(Cn1ccc2c(cnc3ccnn32)c1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	218091267	XNWDMCVMMIHOIV-LSDHHAIUSA-N	416.441	0.852	70	40	HCIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccc4nsnc4c3)CC2)cn1	217968961	UWLPARYJWLZGCI-UHFFFAOYSA-N	406.493	0.962	70	40	HCIB	
O=S(=O)(F)CCN(CCS(=O)(=O)F)C1CCN(Cc2ccccn2)CC1	1615610815	NYVGVWNXYAPSGX-UHFFFAOYSA-N	411.496	0.947	70	40	HCIB	
CN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	216879259	DBOBIYVFBNIQJA-UHFFFAOYSA-N	402.948	0.958	70	40	HCIB	
Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)C3)cc21	217741295	KQFGYIGPPNOCIU-ZIAGYGMSSA-N	417.443	0.456	70	40	HCIB	
O=C(CCn1cnc2ccccc2c1=O)N1Cc2cnc(N3CCOCC3)nc2C1	217612998	AOVTUDINNJHVGY-UHFFFAOYSA-N	406.446	0.956	70	40	HCIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1cccnc1	216786824	YFPHRRUJZLZLEM-UHFFFAOYSA-N	404.492	0.956	70	40	HCIB	
Cc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1	216857676	HKXOBYPOCDYZME-UHFFFAOYSA-N	424.567	0.383	70	40	HCIB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O	218485769	FHYGWYCHPXTQEF-ZDUSSCGKSA-N	419.931	0.952	70	40	HCIB	
CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1	216866395	RGAZXYUCILCZFB-UHFFFAOYSA-N	424.523	0.537	70	40	HCIB	
CCN1CCN(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)C(=O)C1=O	217850416	ZMXBUFVGJCMGNU-ZDUSSCGKSA-N	413.438	0.592	70	40	HCIB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12	217575753	GOHIRJQRASOAHI-NTNQKNOYSA-N	415.354	0.681	70	40	HCIB	
COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCN(C)CC1	216783688	CZXBNHGPRFLRGZ-UHFFFAOYSA-N	404.492	0.956	70	40	HCIB	
O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218639534	OYJRPLIGYBNLGT-UHFFFAOYSA-N	420.477	0.856	70	40	HCIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCN1CCOCC1	216863832	RVBZKEGEHXVHHC-UHFFFAOYSA-N	424.567	0.383	70	40	HCIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccncc1	216786887	KBJXOFRYDDESPA-UHFFFAOYSA-N	404.492	0.956	70	40	HCIB	
Cc1ccc(C(=O)NCCCn2ccnc2)cc1S(=O)(=O)N1CCN(C)CC1	216857710	XOCLZXIROBVKSS-UHFFFAOYSA-N	405.524	0.948	70	40	HCIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cn1	217965568	ZHDICOGLNCQYAM-UHFFFAOYSA-N	415.479	0.538	70	40	HCIB	
O=C1CCc2cc(S(=O)(=O)N3CC[C@H](N4C(=O)CSC4=O)C3)cc3c2N1CC3	217790495	XZGHXFCPSMNRCB-ZDUSSCGKSA-N	421.500	0.980	70	40	HCIB	
CCS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCN(C)CC2)Oc2ccccc21	216950037	PDJBTKMEIVACIW-GOSISDBHSA-N	410.540	0.357	70	40	HCIB	
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	217802341	YTZDNNBTDXDMLI-QSNWEANLSA-N	423.425	0.874	70	40	HCIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccccn1	216786760	INSASDRYHGUCKK-UHFFFAOYSA-N	404.492	0.956	70	40	HCIB	
Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)c(C)c1	96022768	WFWWRLJEGAZMSW-UHFFFAOYSA-N	405.466	0.893	70	40	HCIB	
CCN1CCN(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)C(=O)C1=O	217850351	ZMXBUFVGJCMGNU-CYBMUJFWSA-N	413.438	0.592	70	40	HCIB	
COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1	216858873	VJZSXWYFXCCLQV-UHFFFAOYSA-N	423.535	0.956	70	40	HCIB	
Cn1c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(Br)c(=O)n(C)c1=O	217568332	ZXJNENROZSZZCW-NWDGAFQWSA-N	421.295	0.628	70	40	HCIB	
CN1CCN(Nc2nc3ccccc3nc2NS(=O)(=O)c2cnn(C)c2)CC1	217975942	WTTUOHRWPGYTSO-UHFFFAOYSA-N	402.484	0.738	70	40	HCIB	
CCn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1C	217972544	ABHHMTVUDQSFMI-UHFFFAOYSA-N	416.529	0.030	70	40	HCIB	
COc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)n2)c1	218564700	YKNGDIIQNQXEMS-UHFFFAOYSA-N	423.495	0.880	70	40	HCIB	
Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCN(C)CC1	216856400	KJNKSKBHDDPYBO-UHFFFAOYSA-N	408.524	0.269	70	40	HCIB	
NC(=O)COc1ccc(S(=O)(=O)NCCn2ccnc2-c2ccccn2)cc1	217865671	OBCIVZSCXHJLSG-UHFFFAOYSA-N	401.448	0.788	70	40	HCIB	
Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN3CCOCC3)[C@H]4C2=O)no1	217730119	GHZSPGZWEJTJBZ-PYQAKABTSA-N	402.451	0.108	70	40	HCIB	
O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](N4C(=O)CSC4=O)C3)cc3c2N1CC3	217790580	XZGHXFCPSMNRCB-CYBMUJFWSA-N	421.500	0.980	70	40	HCIB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12	217575676	GOHIRJQRASOAHI-LLKNDRQVSA-N	415.354	0.681	70	40	HCIB	
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(N2C(=O)CSC2=O)C1	217747088	KXYCTJGCUPZSAD-UHFFFAOYSA-N	409.489	0.991	70	40	HCIB	
Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)C3)cc21	217741144	KQFGYIGPPNOCIU-OKILXGFUSA-N	417.443	0.456	70	40	HCIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC(C(N)=O)CC1	216862537	QWHDVCIKKXHRKL-UHFFFAOYSA-N	408.524	0.269	70	40	HCIB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12	217575837	GOHIRJQRASOAHI-WBZSCFCESA-N	415.354	0.681	70	40	HCIB	
CNS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1N1CCN(C)CC1	216789931	LNAYJKFYYYWUSO-UHFFFAOYSA-N	403.508	0.672	70	40	HCIB	
Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)C3)cc21	217741220	KQFGYIGPPNOCIU-KBPBESRZSA-N	417.443	0.456	70	40	HCIB	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1OC	218563865	BZWZTZWSRZFNNQ-UHFFFAOYSA-N	415.512	0.847	70	40	HCIB	
Cn1cc(S(=O)(=O)N2CCCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cn1	217967975	HYXAYAMRINEDSN-UHFFFAOYSA-N	419.463	0.251	70	40	HCIB	
COc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)N1CCN(C)CC1	216783818	KDICDKUNTLZEHW-UHFFFAOYSA-N	404.492	0.956	70	40	HCIB	
Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1	217971255	KYXBPBPNDUNEIK-UHFFFAOYSA-N	420.463	0.784	70	40	HCIB	
Cc1noc(-c2ccsc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1	217649612	GTSQVLGMAPZMDH-UHFFFAOYSA-N	401.408	0.492	70	40	HCIB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCn1ccnc1	216863865	NJHXLUZAOLNOOL-UHFFFAOYSA-N	405.524	0.948	70	40	HCIB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NC1CCN(C)CC1	216836264	ZGXPUFNJOKMENB-UHFFFAOYSA-N	411.524	0.605	70	40	HCIB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)OCCO2	218433892	FILCQQQPWGAIID-UHFFFAOYSA-N	405.432	0.961	70	40	HCIB