smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2n1	586925960	ZROXEUWNZWFHDU-UHFFFAOYSA-N	425.850	2.280	70	1	IEIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	43307777	RPUULMXPADMYKR-DHZHZOJOSA-N	444.492	2.182	70	1	IEIF	
COc1cc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(S(=O)(=O)Cl)c1OC	586924605	GOACQHMHOSCUJN-UHFFFAOYSA-N	437.861	2.429	70	1	IEIF	
COc1cc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925597	UABXZLNSSFEYST-UHFFFAOYSA-N	434.865	2.074	70	1	IEIF	
O=C(Nc1ccc(Cn2cnc3ncnc-3c2O)cc1)c1ccc(S(=O)(=O)F)cc1	102212069	UMCSQMCRRHILBS-UHFFFAOYSA-N	427.417	2.442	70	1	IEIF	
COc1cc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924824	JKWZRABPAROPRP-UHFFFAOYSA-N	446.890	2.345	70	1	IEIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1	586926840	APWCYSKMSNYSGI-UHFFFAOYSA-N	436.298	2.467	70	1	IEIF	
O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1ccc(S(=O)(=O)F)cc1	43871866	MQSBLFDAORRDJY-UHFFFAOYSA-N	427.417	2.078	70	1	IEIF	
O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1cccc(S(=O)(=O)F)c1	43356713	NNHNAGPXHCIEKC-UHFFFAOYSA-N	427.417	2.078	70	1	IEIF	
COC(=O)c1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cn1	586924963	KGHKNOCQBUHQHZ-UHFFFAOYSA-N	425.850	2.280	70	1	IEIF	
CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCOc2ccc(S(=O)(=O)F)cc2)c1	43815884	SNTQXPNXCDGQQN-UHFFFAOYSA-N	449.508	2.378	70	1	IEIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	43620401	CBGVMQCUTDBIQC-LFYBBSHMSA-N	444.492	2.182	70	1	IEIF	
COc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O	218589647	QDMYEWXSUDLHOS-ATPOPXNDSA-N	447.535	2.257	70	1	IEIF	
Cc1cnc(C(=O)N2C[C@H]3C[C@@H](Oc4cnc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)c1	218512724	YLFJSQKDYGUXAW-UMVBOHGHSA-N	445.405	2.462	70	1	IEIF	
Nc1nc(O)c2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1	586926943	SIVPMWPVQPKMCP-UHFFFAOYSA-N	439.078	2.651	70	1	IEIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586928328	WYBVEBICAHXXIG-UHFFFAOYSA-N	436.298	2.467	70	1	IEIF	
COc1cc(Cc2nc3c(S)nc(S)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925511	RWYLFSZMJHRGAT-UHFFFAOYSA-N	432.936	2.466	70	1	IEIF	
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H](Oc4cnc(C(F)(F)F)cn4)[C@H]2C3)n1	218512392	CKWUPZSHHCLQII-BPLDGKMQSA-N	445.405	2.462	70	1	IEIF	
O=C(Nc1ccc(Cn2cnc3ncnc-3c2O)cc1)c1cccc(S(=O)(=O)F)c1	101990635	VZZXSXSZJGOENM-UHFFFAOYSA-N	427.417	2.442	70	1	IEIF	
COC(=O)c1ccnc2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc12	586925799	WGCSCTYLMGTWII-UHFFFAOYSA-N	425.850	2.280	70	1	IEIF