smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1S(=O)(=O)Cl	586926851	ARQBATWNQZTZGZ-UHFFFAOYSA-N	406.894	5.772	70	1	HKIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1	586924339	BKXPVCATLVEEDU-UHFFFAOYSA-N	413.326	5.117	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl	217368114	KIQGXQAXDPCWDW-CYBMUJFWSA-N	400.803	5.207	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4ccccc4cc3[nH]2)c1Cl	586925842	KKQSWKPWFLYZEL-UHFFFAOYSA-N	411.697	5.617	70	1	HKIF	
CC(C)(C)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586925228	DCWSVGKIFLDDAE-UHFFFAOYSA-N	417.745	5.762	70	1	HKIF	
O=C(NC[C@@H](CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1ccccc1Cl	217366206	QZZXFAFHZPJKEY-MRXNPFEDSA-N	422.878	5.859	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl	217368191	KIQGXQAXDPCWDW-ZDUSSCGKSA-N	400.803	5.207	70	1	HKIF	
O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(CC3CCCCC3)cc2)[C@H](O)C[C@H]1Cl	144959211	XVJWBTBYXGKBDM-XJTUCQONSA-N	421.021	6.306	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1Cl	217383897	NKAHZWJMIBLLBN-ZDUSSCGKSA-N	400.803	5.207	70	1	HKIF	
CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1	117760666	FZGISGVMDPWVSQ-MOUTVQLLSA-N	423.037	6.915	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1	587178168	SVMORTNOUUOWHV-UHFFFAOYSA-N	413.179	5.214	70	1	HKIF	
O=C(NC[C@H](CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1ccccc1F	217366467	QHRQPOIUZGTIBU-INIZCTEOSA-N	406.423	5.344	70	1	HKIF	
O=S(=O)(Cl)c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1Cl	586926886	GXCMBGSXMXOLNR-UHFFFAOYSA-N	419.289	5.603	70	1	HKIF	
O=S(=O)(Cl)c1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1Cl	586927555	GRHZBCODCOYEHP-UHFFFAOYSA-N	419.289	5.603	70	1	HKIF	
CC(C)c1cccc2c1CCC[C@@]21CNC[C@H]1C(=O)N1CCC(c2ccccc2)CC1	216952819	DERYPBXLNDLVEK-XTEPFMGCSA-N	416.609	5.010	70	1	HKIF	
Cc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1	218399830	YKNQGFRSXAVWRE-UHFFFAOYSA-N	404.485	5.847	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1F	217383655	WNFNHZBEPYVWJS-CYBMUJFWSA-N	400.803	5.207	70	1	HKIF	
CC(C)OC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl	144564775	QXJGKPAGRZMCQA-JVNMPXIPSA-N	423.037	6.348	70	1	HKIF	
Cc1c(-c2cccc(S(=O)(=O)Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O	587208984	IMAWOVXZHPLLJN-UHFFFAOYSA-N	419.889	5.349	70	1	HKIF	
COc1cccc(-c2cc(C([N+]#N)=P(O)(OC)OC)nc3c2oc2ccccc23)c1	587364860	IMGJHXFETNHWEI-UHFFFAOYSA-N	424.373	5.035	70	1	HKIF	
O=C(NC[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl	217377366	LMJIEFGCCUMUAV-QGZVFWFLSA-N	422.809	5.455	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1Cl	586927245	WEDADEPUQCFGAB-UHFFFAOYSA-N	414.072	5.257	70	1	HKIF	
CCCCCC(=O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1	43177351	HCSZEHRPPPVPSP-RAKNTXKMSA-N	420.977	5.723	70	1	HKIF	
C/C(=C\C[N+]1=C=[N+](C)c2nncc(N)c21)CC[C@@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C	238772911	ULAAYWCTGKJBIT-VSPYMDSUSA-N	421.633	5.689	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl	217367320	RHDROFHJDUDMGT-NSHDSACASA-N	418.246	5.116	70	1	HKIF	
COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1	587918300	LIBNPBUXRBTLBQ-UHFFFAOYSA-N	417.313	5.343	70	1	HKIF	
Cc1cc(-c2ccccn2)nc(-c2cccc(-c3cc(C)cc(-c4ccccn4)n3)n2)c1	218569250	WBGAFUHWMLQIFN-UHFFFAOYSA-N	415.500	5.946	70	1	HKIF	
Cc1cc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586927570	HEDCBWZCHGCELE-UHFFFAOYSA-N	412.898	5.045	70	1	HKIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1	586924838	JURQYXXRZPOSBU-UHFFFAOYSA-N	413.326	5.117	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cnc4ccccc4c3[nH]2)c1Cl	586925308	DQMHVQGGEURYCD-UHFFFAOYSA-N	412.685	5.012	70	1	HKIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1Cl	586926123	HIKKKBSKFZIEHR-UHFFFAOYSA-N	409.216	5.138	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl	217371898	FUNGXBHNVRVIFC-LLVKDONJSA-N	418.246	5.116	70	1	HKIF	
COc1ccc(Cl)cc1C#Cc1ccc2sc(S(=O)(=O)Cl)c(C)c2c1	587918358	OIVFZKZZJSSSNV-UHFFFAOYSA-N	411.331	5.199	70	1	HKIF	
O=C(NC[C@@H](c1ccc(Cl)cc1)C1CCOCC1)c1cccc(Cl)c1Cl	217369258	KTJQJDXYALLWBC-KRWDZBQOSA-N	412.744	5.587	70	1	HKIF	
Cc1ccc2c3c(cc(-c4cccc(S(=O)(=O)Cl)c4)nc13)-c1ccccc1C2=O	587102305	NEXZTOBFTPCSGS-UHFFFAOYSA-N	419.889	5.349	70	1	HKIF	
O=C(NC[C@@H](c1ccc(C(F)(F)F)nc1)C1CC1)c1cccc(Cl)c1Cl	217362049	DINZZVNXDSWLAN-CYBMUJFWSA-N	403.231	5.331	70	1	HKIF	
CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/C[N+]1=C=[N+](C)c2ncnc(N)c21	238734583	HLAOEBSXZSHXSI-FGTPADRVSA-N	421.633	5.689	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1	587179982	CLIWLMRVCPDHFE-UHFFFAOYSA-N	418.902	5.693	70	1	HKIF	
Cc1c(Cl)ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586924855	AEJJTUIKUINEHM-UHFFFAOYSA-N	410.109	5.426	70	1	HKIF	
O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)Cl)cc3)nc3cccc1c23	587209483	PYIJAUQIURVPEB-UHFFFAOYSA-N	405.862	5.041	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1F	217383722	WNFNHZBEPYVWJS-ZDUSSCGKSA-N	400.803	5.207	70	1	HKIF	
O=C(NC[C@H](c1ccc(Cl)cc1)C1CCOCC1)c1cccc(Cl)c1Cl	217369345	KTJQJDXYALLWBC-QGZVFWFLSA-N	412.744	5.587	70	1	HKIF	
O=C(NCC1(c2cncc(F)c2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl	217362222	PMNDTJDYUDZUFR-UHFFFAOYSA-N	417.258	5.405	70	1	HKIF	
O=C(NC[C@H](c1ccc(C(F)(F)F)nc1)C1CC1)c1cccc(Cl)c1Cl	217362133	DINZZVNXDSWLAN-ZDUSSCGKSA-N	403.231	5.331	70	1	HKIF	
CC(C)(C)[C@@H](O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1	137014277	XQMVWUPVNFAGKL-LHXCCCDBSA-N	408.966	5.039	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1	587180270	GTKRKFZDANTYOS-UHFFFAOYSA-N	410.857	5.848	70	1	HKIF	
Cc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Cl	586927553	ZXMCUFWBQICGTK-UHFFFAOYSA-N	410.109	5.426	70	1	HKIF	
Cc1cc(Cl)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586927416	XRPLXDCWFCHVAT-UHFFFAOYSA-N	410.109	5.426	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1	587178134	RDFJPVDZZXHJJY-UHFFFAOYSA-N	413.179	5.214	70	1	HKIF	
O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cc(Cl)ccc1Cl	217360893	HOVCPCFDJYYDRR-UHFFFAOYSA-N	417.258	5.405	70	1	HKIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1Cl	586927102	UUSMDQNBVRTNSJ-UHFFFAOYSA-N	409.216	5.138	70	1	HKIF	
C=C1CCCC(C)(C)[C@H]1CC/C(C)=C/CC/C(C)=C/C[N+]1=C=[N+](C)c2ncnc(N)c21	238738202	GXAICYVWFJTQQK-VTUSAZOXSA-N	421.633	6.000	70	1	HKIF	
Cc1ccc2[nH]cc(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c(=O)c2c1	218227786	HDMDDBWIGBMBFT-UHFFFAOYSA-N	406.526	5.389	70	1	HKIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1Cl	586926025	DVWDIZJLRBZTPD-UHFFFAOYSA-N	411.644	5.051	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc4ncccc4c3[nH]2)c1Cl	586927492	ZDQZNAZGSZSECK-UHFFFAOYSA-N	412.685	5.012	70	1	HKIF	
Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)Cl)cc4)nc13)-c1ccccc1C2=O	587102429	QRCBHHFBJNAVRS-UHFFFAOYSA-N	419.889	5.349	70	1	HKIF	
CCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1S(=O)(=O)Cl	586928035	WZEYWUFATUBHCR-UHFFFAOYSA-N	420.921	6.026	70	1	HKIF	
O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl	217359836	UZKXTPHGWOFFHL-UHFFFAOYSA-N	417.258	5.405	70	1	HKIF	
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/C[N+]1=C=[N+](C)c2nncc(N)c21	238762339	UVVNWVWXNPXZKA-ATYPMZMTSA-N	421.633	5.689	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1Cl	586927210	VTHVHBQFMKHENN-UHFFFAOYSA-N	415.729	5.343	70	1	HKIF	
O=C1c2ccccc2-c2cc(-c3cccc(S(=O)(=O)Cl)c3)nc3cccc1c23	587209639	RGTSEYODBQCQRR-UHFFFAOYSA-N	405.862	5.041	70	1	HKIF	
CC(C)(C)[C@H](O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1	137014438	JKTGWXLVQIWUCS-LDNJSWSKSA-N	410.982	5.263	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl	217367938	STCXIRZKWXHTIY-CYBMUJFWSA-N	400.803	5.207	70	1	HKIF	
OCC1(NCc2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CCCC1	218693275	XXYDOPDFKZTYFK-UHFFFAOYSA-N	418.381	5.181	70	1	HKIF	
CC1(C)C(Br)=C[C@H]2O[C@@]2(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2	5761992	LCVJEYNJCXTRIQ-RDCQKDKRSA-N	412.593	5.394	70	1	HKIF	biogenic
CCc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1S(=O)(=O)Cl	586927773	RITJFELUPBHYPI-UHFFFAOYSA-N	423.243	5.392	70	1	HKIF	
O=C(NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl	217377298	LMJIEFGCCUMUAV-KRWDZBQOSA-N	422.809	5.455	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1Cl	586927456	YLIIZRDTTFSDMJ-UHFFFAOYSA-N	414.072	5.257	70	1	HKIF	
Cc1cc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928287	UUWVYWXZTUWJGE-UHFFFAOYSA-N	414.939	5.617	70	1	HKIF	
CC(C)(Cl)[C@H](Br)CC/C(=C/CBr)CBr	1637292	TVTWQOIBZCHMDJ-BZJXQOFCSA-N	411.403	5.264	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl	217372087	HGZIMQXJAFSFJC-CYBMUJFWSA-N	417.258	5.721	70	1	HKIF	
CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1	217891191	UNKBKGRQLOPRSK-UHFFFAOYSA-N	417.267	5.175	70	1	HKIF	
Cc1ccc(S(=O)(=O)Cl)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587209153	KZRUQGGPCBRALK-UHFFFAOYSA-N	419.889	5.349	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl	217368009	STCXIRZKWXHTIY-ZDUSSCGKSA-N	400.803	5.207	70	1	HKIF	
OCC1(NCc2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n2)CCCC1	218697868	CGGGKZIBNADUQD-UHFFFAOYSA-N	418.381	5.181	70	1	HKIF	
C=CCc1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586925775	JSJZVKXNHXTZDI-UHFFFAOYSA-N	401.702	5.193	70	1	HKIF	
CCc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1S(=O)(=O)Cl	586926513	AXRGNMVXHBVPMK-UHFFFAOYSA-N	412.898	5.512	70	1	HKIF	
CSc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1	586924732	HVQLTOKPKMSUIB-UHFFFAOYSA-N	407.731	5.186	70	1	HKIF	
CCc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Cl	586927442	MYJCRPUYQLBKRZ-UHFFFAOYSA-N	420.865	5.332	70	1	HKIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl	586926150	HWSKXPZIENTQJQ-UHFFFAOYSA-N	410.109	5.426	70	1	HKIF	
CC(C)(C)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2n1	586925668	IWUZLSFOPAHUDV-UHFFFAOYSA-N	418.733	5.157	70	1	HKIF	
COC(=O)c1ccc(COc2c(C3CCC3)ccc(-c3ccc(N)nc3)c2F)cc1	218399609	HIERKEGQNCWUCN-UHFFFAOYSA-N	406.457	5.103	70	1	HKIF	
CCc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1S(=O)(=O)Cl	586928010	WAJJLUNPOHHKRY-UHFFFAOYSA-N	423.243	5.392	70	1	HKIF	
O=C(NC[C@H](CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1ccccc1Cl	217366293	QZZXFAFHZPJKEY-INIZCTEOSA-N	422.878	5.859	70	1	HKIF	
Cc1ccccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1	217361940	BKYHGKOROKCTFZ-UHFFFAOYSA-N	412.402	5.286	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl	217371976	FUNGXBHNVRVIFC-NSHDSACASA-N	418.246	5.116	70	1	HKIF	
CC(C)Oc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1	586925735	JKSUUZVFRGZWQR-UHFFFAOYSA-N	419.717	5.251	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1	587179986	COZUSMPYOCNJBI-UHFFFAOYSA-N	416.861	5.121	70	1	HKIF	
CC(C)(C)[C@@H](O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1	137014487	JKTGWXLVQIWUCS-UWRIJYQHSA-N	410.982	5.263	70	1	HKIF	
CC(C)(C)[C@H](O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1	137014223	XQMVWUPVNFAGKL-CHQMNHSYSA-N	408.966	5.039	70	1	HKIF	
CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/C[N+]1=C=[N+](C)c2nncc(N)c21	238746700	KNZIZURUHGWYFZ-BEHXQNNVSA-N	421.633	6.000	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1Cl	217383814	NKAHZWJMIBLLBN-CYBMUJFWSA-N	400.803	5.207	70	1	HKIF	
O=C(NC[C@@H](CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1ccccc1F	217366386	QHRQPOIUZGTIBU-MRXNPFEDSA-N	406.423	5.344	70	1	HKIF	
O=C(NC[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl	217367242	RHDROFHJDUDMGT-LLVKDONJSA-N	418.246	5.116	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1	587177979	KDINMKBTADRUKZ-UHFFFAOYSA-N	410.801	5.153	70	1	HKIF	
CCCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1	117760668	FZGISGVMDPWVSQ-YCAMKHIRSA-N	423.037	6.915	70	1	HKIF	
Cc1cc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)ccc1S(=O)(=O)Cl	586928310	WAAGKCJBXHOVSF-UHFFFAOYSA-N	412.898	5.045	70	1	HKIF	
OB1OCc2ccc(-n3cc(Sc4ccc5ccccc5c4)c4ccccc43)cc21	205273812	SIHIMMDQWULYLS-UHFFFAOYSA-N	407.303	5.153	70	1	HKIF	
CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587533859	XJNUSOYJMWLGFA-JOCHJYFZSA-N	418.942	5.010	70	1	HKIF	
O=C(NC[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl	217364047	SMCKEZRORVPHFF-SFHVURJKSA-N	404.724	6.209	70	1	HKIF	
Cc1cc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl	586928290	UWENVGUPSPSMRT-UHFFFAOYSA-N	409.216	5.138	70	1	HKIF	
CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1	117760191	QCFMTQOBIWJRRE-SSGKUCQKSA-N	409.010	6.827	70	1	HKIF	
CC(C)(Cl)[C@H](Br)CC/C(CBr)=C(/Cl)CCl	107062361	NSQLVXCLUIIUAA-UFGYOYAJSA-N	401.397	5.674	70	1	HKIF	
O=S(=O)(Cl)c1ccc(Sc2nnc(Nc3ccc(Cl)cc3)s2)cc1	103272770	OFZLHJZTWOIBFV-UHFFFAOYSA-N	418.352	5.014	70	1	HKIF	
CCCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1	117760192	QCFMTQOBIWJRRE-ODAXIHTASA-N	409.010	6.827	70	1	HKIF	
Cc1cc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl	586927933	LPJKZYKIHZWFBQ-UHFFFAOYSA-N	409.216	5.138	70	1	HKIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1Cl	586927307	WISYIRULOCAEMS-UHFFFAOYSA-N	410.109	5.426	70	1	HKIF	
O=C(NC[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl	217363971	SMCKEZRORVPHFF-GOSISDBHSA-N	404.724	6.209	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1	587180805	NCVSRCCLENDSIX-UHFFFAOYSA-N	402.834	5.334	70	1	HKIF	
CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587533860	XJNUSOYJMWLGFA-QFIPXVFZSA-N	418.942	5.010	70	1	HKIF	
Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)F)cc4)nc13)-c1ccccc1C2=O	586995115	FKYLCDMIZURHBU-UHFFFAOYSA-N	403.434	5.080	70	1	HKIF	
O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl	217372170	HGZIMQXJAFSFJC-ZDUSSCGKSA-N	417.258	5.721	70	1	HKIF	
CC(C)(Cl)[C@@H](Br)CC/C(=C/CBr)CBr	1637294	TVTWQOIBZCHMDJ-RDOCRHDPSA-N	411.403	5.264	70	1	HKIF	
CC(C)(C)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1	586925558	GNWSHXHXQMLQGS-UHFFFAOYSA-N	417.745	5.762	70	1	HKIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1	587180420	IURCEYIGJCILRL-UHFFFAOYSA-N	416.861	5.121	70	1	HKIF	
CC(C)(Cl)[C@@H](Br)CC/C(CBr)=C(/Cl)CCl	107062364	NSQLVXCLUIIUAA-FUOZMLNRSA-N	401.397	5.674	70	1	HKIF	
Cc1cc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)ccc1S(=O)(=O)Cl	586928329	WYDJZHOWNXGPRJ-UHFFFAOYSA-N	406.838	5.078	70	1	HKIF