smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1/C(=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)N(C)c2cc(Cl)ccc21	38636509	CWYZKJWRWUSWHT-QCPHZMBFSA-N	459.980	3.951	10	30	JHCC	
Nc1ccc(O)c2c1C(=O)c1c(O)c(-c3ccc(OC(=O)c4ccccc4)cc3)cc(N)c1C2=O	31302840	UTKGUAAJNFVYMR-UHFFFAOYSA-N	466.449	3.924	10	30	JHCC	
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1	8618294	QTUKLLDMPPIQNK-UHFFFAOYSA-N	464.570	3.996	10	30	JHCC	
O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OC[C@@H]1COc2ccccc2O1	3651312	HLQWZRORUBOPJF-QHCPKHFHSA-N	466.578	3.510	10	30	JHCC	
CC(=O)Nc1cc(N(CCOC(C)=O)CCOC(C)=O)ccc1/N=N/c1ccc([N+](=O)[O-])cc1	31302451	SOWPUZMDITYESQ-OCOZRVBESA-N	471.470	3.901	10	30	JHCC	
CC(=O)Nc1ccc(Br)c2c1C(=O)c1c(Br)ccc(NC(C)=O)c1C2=O	31374564	DORCRAXPUWOWPM-UHFFFAOYSA-N	480.112	3.904	10	30	JHCC	
Cc1ccc(S(=O)(=O)Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	31374653	BDJMCMGZOMQUMJ-UHFFFAOYSA-N	471.332	3.916	10	30	JHCC	
O=C(O)COc1ccc(Br)cc1/C=C1/SC(=S)N(Cc2cccnc2)C1=O	33314359	IYCJJVVXEHZJHE-VIZOYTHASA-N	465.350	3.709	10	30	JHCC	
O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1=Cc1ccc(Cl)cc1	2265276544	WSIKCTXNWSPIST-UHFFFAOYSA-N	473.238	3.981	10	30	JHCC	
Cc1c(/N=N/c2ccc(C(=O)OCCOCCOc3ccccc3)cc2)c(O)n(C)c(=O)c1C#N	238790756	HXWRZPWVMDQIFO-BYYHNAKLSA-N	476.489	3.939	10	30	JHCC	
COC(=O)CCN(CCC(=O)OC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(NC(C)=O)c1	31361604	BYMNHMLASYXHRV-OCOZRVBESA-N	471.470	3.901	10	30	JHCC	
COc1cc(NC(=O)[C@H](/N=N/c2ccc([N+](=O)[O-])cc2OC)C(C)=O)c(OC)cc1Cl	111398844	UKDQJSCBLDOTIF-KGNHYALCSA-N	450.835	3.954	10	30	JHCC	
O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OC[C@H]1COc2ccccc2O1	3651314	HLQWZRORUBOPJF-HSZRJFAPSA-N	466.578	3.510	10	30	JHCC	
COC(=O)c1ccc(N2CCN(C3=NC(=O)C(=CC=Cc4ccccc4)S3)CC2)c([N+](=O)[O-])c1	2265276264	IBEGFLHLUKAZFD-UHFFFAOYSA-N	478.530	3.730	10	30	JHCC	
O=C(NCc1nc2c(Br)cccc2c(=O)n1CCc1ccc(O)c(O)c1)c1ccccc1	1843556	GNRPHOUVINMUQL-UHFFFAOYSA-N	494.345	3.743	10	30	JHCC	
O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1	8648179	MDEPIOBYOCMBPW-RVDMUPIBSA-N	460.587	3.745	10	30	JHCC	
CC(=O)Nc1cc(N=Nc2ccc(N(CCOC(C)=O)CCOC(C)=O)cc2)ccc1[N+](=O)[O-]	1531843770	AQMBXXOAUHJZIT-UHFFFAOYSA-N	471.470	3.901	10	30	JHCC	
O=S(=O)(N[C@H]1NN=C(c2cc(Cl)cc(Cl)c2O)N1Nc1ccccc1)c1ccccc1	12339786	SOYQTDWRVTXARS-HXUWFJFHSA-N	478.361	3.555	10	30	JHCC	
CN1/C(=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)N(C)c2cc(Cl)ccc21	38636511	CWYZKJWRWUSWHT-OTZFSBHDSA-N	459.980	3.951	10	30	JHCC	
C=CC(=O)Nc1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1S(=O)(=O)O	38605080	VMCLIUVISQMWRA-QURGRASLSA-N	477.476	3.579	10	30	JHCC	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1c(O)cc(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc12	585138980	IQAXIWRYVDCMBS-KHOFPDMRSA-N	469.435	3.575	10	30	JHCC	
Cc1ccc(S(=O)(=O)NN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2O)cc1	1033161	YFNRIKUZOUBFTE-FQEVSTJZSA-N	488.363	3.923	10	30	JHCC	
COc1cc(NC(=O)[C@@H](/N=N/c2ccc([N+](=O)[O-])cc2OC)C(C)=O)c(OC)cc1Cl	111398838	UKDQJSCBLDOTIF-CCWVLBSLSA-N	450.835	3.954	10	30	JHCC	
CNC(=O)COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12	26940386	ZIKCBROVQCAHDF-UHFFFAOYSA-N	480.546	3.637	10	30	JHCC	
COc1cc(S(=O)(=O)O)c(C)cc1-c1c(O)ccc2c(N=N)c(S(=O)(=O)O)ccc12	223596805	CSGYXOPRQSCZFV-UHFFFAOYSA-N	452.466	3.685	10	30	JHCC	
CCN(CCN1C(=O)CCC1=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(NC(C)=O)c1	31393020	CZHGDRKVHVTOQZ-OCOZRVBESA-N	452.471	3.944	10	30	JHCC	
Cc1ccc(S(=O)(=O)NN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2O)cc1	1033162	YFNRIKUZOUBFTE-HXUWFJFHSA-N	488.363	3.923	10	30	JHCC	
O=S(=O)(N[C@@H]1NN=C(c2cc(Cl)cc(Cl)c2O)N1Nc1ccccc1)c1ccccc1	12339785	SOYQTDWRVTXARS-FQEVSTJZSA-N	478.361	3.555	10	30	JHCC	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1c(O)cc(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc12	585138981	IQAXIWRYVDCMBS-VEGAHXMMSA-N	469.435	3.575	10	30	JHCC	
COc1cc(/N=N/c2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2)c(C)cc1N	31351802	DCVDDHNAUZKOGX-QZQOTICOSA-N	451.482	3.648	10	30	JHCC