smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(C2=C[C@@H](c3ccccc3)SC(=S)N2)cc1	74443	LHAIDWLVVWGJFO-INIZCTEOSA-N	313.447	4.399	10	30	DICC	
Cc1c2ccccc2c(CO)c2c1ccc1c(O)c(O)ccc12	1853653	OOMGLGGOTDGCOQ-UHFFFAOYSA-N	304.345	4.358	10	30	DICC	
CN1/C(=C/c2ccc3ccccc3[n+]2C)Sc2ccccc21	38611709	LINQWMMTWMYBLQ-UHFFFAOYSA-N	305.426	4.205	10	30	DICC	
Nc1ccccc1Cc1ccccc1NCc1ccccc1O	33608331	CPFZPORDJIEQNC-UHFFFAOYSA-N	304.393	4.177	10	30	DICC	
CCCCC1(C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	34884324	QBXQDSFAILUQAX-UHFFFAOYSA-N	322.408	4.178	10	30	DICC	
Nc1ccc(/N=N/c2ccccc2[N+](=O)[O-])c2cccc(O)c12	238790058	NWHVWMXSXUCGSU-VHEBQXMUSA-N	308.297	4.451	10	30	DICC	
CN(C)c1ccc([C@@H]2[C@@H]3CCCc4ccccc4C3=NN2C)cc1	4362336	ZEGXDKXOBNMNHM-TZIWHRDSSA-N	319.452	4.096	10	30	DICC	
COc1cc(-c2ccc(/N=N/O)c(OC)c2)ccc1/N=N/O	200261763	BZBBNLBBWHDWBK-UHFFFAOYSA-N	302.290	4.317	10	30	DICC	
Nc1ccc(Cc2ccc(NC(=O)c3ccccc3)cc2)cc1	39899782	CRKWCFFZZBXKCA-UHFFFAOYSA-N	302.377	4.112	10	30	DICC	
CSC1=NC(=O)C(=Cc2ccccc2C(F)(F)F)S1	2265276316	ROSUPZSEHYMLBU-UHFFFAOYSA-N	303.330	4.039	10	30	DICC	
O=C(CSC1=NCCc2ccccc21)c1ccc(Cl)cc1	172345	BBYFCNVAVIWXPG-UHFFFAOYSA-N	315.825	4.259	10	30	DICC	
CCO/C=C1\SC(=S)N(c2ccc(C(C)C)cc2)C1=O	3119196	YYCBADDCZFQENL-LCYFTJDESA-N	307.440	4.053	10	30	DICC	
COC(=O)CCN1CCc2cc(/N=N/c3ccc(C)cc3)ccc21	4344368	QYSGVJSWHDKCHJ-QZQOTICOSA-N	323.396	4.336	10	30	DICC	
O=C(CSC1=NCCc2ccccc21)c1ccccc1Cl	170028	DLUMNRQNPPWAQL-UHFFFAOYSA-N	315.825	4.259	10	30	DICC	
COc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)c1cccn1-2	155861	KUFHEUJHSAJDFW-HXUWFJFHSA-N	319.408	4.067	10	30	DICC	
S=C(NNc1ccccc1)Nc1cccc(Cl)c1Cl	165020	FJHVHRIKDLSQTA-UHFFFAOYSA-N	312.225	4.307	10	30	DICC	
CC(C)n1c(Sc2ncc([N+](=O)[O-])s2)nc2ccccc21	121236	MPIJGDDDDJKYRA-UHFFFAOYSA-N	320.399	4.133	10	30	DICC	
CCN(Cc1ccccc1)c1ccc(/N=N/c2nc[nH]n2)cc1	5316585	CAAQCABQPNOOQQ-LSDHQDQOSA-N	306.373	4.247	10	30	DICC	
Oc1ccc(Br)cc1[C@@H]1Nc2ccccc2S1	137234	IIDFDMWMVQNIJV-CYBMUJFWSA-N	308.200	4.371	10	30	DICC	
CN(C)c1ccc([C@H]2[C@H]3CCCc4ccccc4C3=NN2C)cc1	13468746	ZEGXDKXOBNMNHM-FPOVZHCZSA-N	319.452	4.096	10	30	DICC	
FC(F)(F)c1cccc(NNC(=S)Nc2ccccc2)c1	172014	WYZUTIYBOUOGSN-UHFFFAOYSA-N	311.332	4.019	10	30	DICC	
NC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5422212	QTWNXHPBFYHFQH-UHFFFAOYSA-N	313.360	4.231	10	30	DICC	
Cc1c2ccccc2c(CO)c2ccc3c(O)c(O)ccc3c12	1853654	JILMUBNUUUYOOQ-UHFFFAOYSA-N	304.345	4.358	10	30	DICC	
COc1ccc(/N=N/c2ccc(OC)c(OC)c2)cc1OC	4336607	XHNBRGZASXVTTA-ISLYRVAYSA-N	302.330	4.136	10	30	DICC	
N=C1c2c(N)cccc2C=CC12Nc1cccc3cccc(c13)N2	44069547	CXGACCZEFCWAJN-UHFFFAOYSA-N	312.376	4.051	10	30	DICC	in-vitro
Oc1ccc(Br)cc1[C@H]1Nc2ccccc2S1	137237	IIDFDMWMVQNIJV-ZDUSSCGKSA-N	308.200	4.371	10	30	DICC	
CN(C)c1ccc([C@@H]2[C@H]3CCCc4ccccc4C3=NN2C)cc1	104218	ZEGXDKXOBNMNHM-PZJWPPBQSA-N	319.452	4.096	10	30	DICC	
Cc1occc1-c1cc(N)n(-c2cccc(Cl)c2Cl)n1	171220	CKBNDJAKUNCVFW-UHFFFAOYSA-N	308.168	4.330	10	30	DICC	
O=C1c2ccc(Cl)cc2C(=O)c2c(Cl)ccc(Cl)c21	147008685	GCDPTNVMLMOCEH-UHFFFAOYSA-N	311.551	4.422	10	30	DICC	
CN1C=NN(C)[C@H]1/N=N/c1c(-c2ccccc2)[nH]c2ccccc12	238790503	WDARMMHWSGJKQZ-VEGAHXMMSA-N	318.384	4.023	10	30	DICC	
CCOc1ccc(/N=N/c2cc(OC)c(N)cc2OC)cc1	33608483	MQQMJDREBUTCHP-VHEBQXMUSA-N	301.346	4.100	10	30	DICC	
Nc1ccc2ccccc2c1/N=N/c1ccc([N+](=O)[O-])cc1O	6118205	VQAXLVSIIUKAAQ-VHEBQXMUSA-N	308.297	4.451	10	30	DICC	
O=C1c2ccccc2C(=O)c2c1cccc2-c1ccccc1F	32271353	AABZSRJXKLCYMT-UHFFFAOYSA-N	302.304	4.268	10	30	DICC	
CN1C=NN(C)[C@@H]1/N=N/c1c(-c2ccccc2)[nH]c2ccccc12	5966153	WDARMMHWSGJKQZ-KHOFPDMRSA-N	318.384	4.023	10	30	DICC	
CN1Cc2ccc(O)c(/N=N/c3ccc(Cl)cc3)c2N1C	238790198	DLZSGPSLHQVTMF-ISLYRVAYSA-N	302.765	4.258	10	30	DICC	
COc1ccc(C2=C[C@H](c3ccccc3)SC(=S)N2)cc1	74447	LHAIDWLVVWGJFO-MRXNPFEDSA-N	313.447	4.399	10	30	DICC	
CN(C)c1ccc([C@H]2[C@@H]3CCCc4ccccc4C3=NN2C)cc1	4362338	ZEGXDKXOBNMNHM-CTNGQTDRSA-N	319.452	4.096	10	30	DICC	
COc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)cc1)c1cccn1-2	155859	KUFHEUJHSAJDFW-FQEVSTJZSA-N	319.408	4.067	10	30	DICC	
COc1ccccc1-c1cccc2c1C(=O)c1ccccc1C2=O	32271322	HLKNRNPTFCTXDQ-UHFFFAOYSA-N	314.340	4.138	10	30	DICC	
FC(F)(F)c1ccccc1NC(=S)NNc1ccccc1	98400	JGRPUEHJANBXLX-UHFFFAOYSA-N	311.332	4.019	10	30	DICC