smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2F)cc1	33636979	HDZOKBVEFAIKLM-UHFFFAOYSA-N	414.414	4.074	10	30	HICC	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=CC=Cc1ccc(N(C)C)cc1	2265279356	FHNZMJZCGJTZER-UHFFFAOYSA-N	416.521	4.224	10	30	HICC	
CC(C)c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2	22459325	XDBMBHVYXPBOPL-OAQYLSRUSA-N	400.563	4.307	10	30	HICC	
COC(=O)c1ccc2c(c1)C(C)(C)/C(=C\C=C1/C(=O)N(c3ccccc3)N=C1C)N2C	111859584	GSYLGDNZCGXCAQ-WVZZZZASSA-N	415.493	4.434	10	30	HICC	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(Cl)ccc1Cl	100334524	WHQOVNOGONNMJB-SKAIHHOBSA-N	405.241	4.412	10	30	HICC	
CC(=O)Nc1cc([N+](=O)[O-])cc(/N=N/c2c(O)ccc3cccc(NC(C)=O)c23)c1O	38810902	LAESNCGSUIZTJV-WCWDXBQESA-N	423.385	4.491	10	30	HICC	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc2c1C(=O)c1ccccc1C2=O	100244979	UKHANRPQRABKCI-JMSHBIQUSA-N	408.417	4.337	10	30	HICC	
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(F)cc2)CC1	4307625	IUAJSZFWBGBQMO-UHFFFAOYSA-N	422.460	4.104	10	30	HICC	
CC(=O)[C@H](N=Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1	256547719	DFRWBCUUBVLBGL-NRFANRHFSA-N	411.417	4.142	10	30	HICC	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc2c1C(=O)c1ccccc1C2=O	100244985	UKHANRPQRABKCI-WHEOYJBGSA-N	408.417	4.337	10	30	HICC	
[N-]=[N+]=NCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4ccccc4)n3[B-]2(F)F)C=C1	953126629	PVLRRJLEAGIMJG-UHFFFAOYSA-N	422.248	4.352	10	30	HICC	
CCOc1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1	111482150	NFOKQFPKZXLIEL-QZQOTICOSA-N	416.411	4.304	10	30	HICC	
Oc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1CN1CCCCC1	33607047	TWOMLFAUCLQOOH-UHFFFAOYSA-N	401.595	4.056	10	30	HICC	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=Cc1c[nH]c2ccc(OC)cc12	2265279537	KALKGCNRYXQTCI-UHFFFAOYSA-N	416.477	4.092	10	30	HICC	
COc1cc([N+](=O)[O-])ccc1/N=N/c1cc2c3c(cccc3c1O)C(=O)N(C)C2=O	111874864	WCDDKUNFTZUFEA-QURGRASLSA-N	406.354	4.103	10	30	HICC	
CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2	22459330	XDBMBHVYXPBOPL-NRFANRHFSA-N	400.563	4.307	10	30	HICC	
CC(=O)[C@@H](N=Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1	256547725	DFRWBCUUBVLBGL-OAQYLSRUSA-N	411.417	4.142	10	30	HICC	
C[Si](C)(c1ccccc1)c1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1	195752466	KLDMOPJXZZLEJP-UHFFFAOYSA-N	422.689	4.187	10	30	HICC	
CCOC(=O)Oc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	31375370	QXIBJIXBYGNLRE-UHFFFAOYSA-N	419.389	4.077	10	30	HICC	
Cc1ccc(-c2nc(NS(=O)(=O)c3cccc4nonc34)sc2C)cc1Cl	1029933	UCXPADFLLYEOSG-UHFFFAOYSA-N	420.903	4.417	10	30	HICC	
CCOc1c(Br)cc(Br)cc1/C=C1/SC(=S)NC1=O	12339161	IICWIZNIRUDXNZ-RUDMXATFSA-N	423.151	4.099	10	30	HICC	
CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)C(=O)O1	1048670	NJPCNNCESDCKRC-UHFFFAOYSA-N	411.288	4.093	10	30	HICC	
Cc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)c2cccc(Cl)c2C3=O)cc1	5299060	AEYNFHFXCAPUQI-UHFFFAOYSA-N	411.866	4.225	10	30	HICC	
COc1ccc(N2CCN(C(=O)C=Cc3ccc(OC)c4ccccc34)CC2)cc1	2265279658	NUDCZHXRUMCEBA-UHFFFAOYSA-N	402.494	4.219	10	30	HICC	
CN(C)CCSc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O	5317733	MKHJJUBOMCBUMW-UHFFFAOYSA-N	417.534	4.442	10	30	HICC	
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccs2)CC1	4307627	NYNWKYQTWSHKOO-UHFFFAOYSA-N	410.499	4.026	10	30	HICC	
Oc1c(CN2CCCC2)cc(Nc2ncnc3ccccc23)cc1CN1CCCC1	4215290	ADFVBEOHHMMWBZ-UHFFFAOYSA-N	403.530	4.271	10	30	HICC	
O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc(Nc3cccc(Cl)c3)c21	96332294	WCRFSLKVWPIEAY-UHFFFAOYSA-N	410.769	4.178	10	30	HICC	
CNS(=O)(=O)c1cccc2c(/N=N/c3ccc([N+](=O)[O-])cc3Cl)c(N)ccc12	111392169	GPBGNHRBAZSRJF-QURGRASLSA-N	419.850	4.307	10	30	HICC	
O=[N+]([O-])c1cc([N+](=O)[O-])c(/N=N/c2ccc(O)c3ccccc23)c(S(=O)(=O)O)c1	38171360	CAPWUCGVRLIQOU-ISLYRVAYSA-N	418.343	4.024	10	30	HICC	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1	1026949	NQTTWRDTPIQCSK-UHFFFAOYSA-N	400.466	4.371	10	30	HICC	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(Cl)ccc1Cl	100334517	WHQOVNOGONNMJB-UCMDFWOYSA-N	405.241	4.412	10	30	HICC	
CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C2=C1C=CC(=N)C=C1C(=O)O	504537834	ACARQHQBFSFTSN-UHFFFAOYSA-N	401.466	4.327	10	30	HICC	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc(OC)c1OC	12368492	INPCMBZBPVQJGB-LZYBPNLTSA-N	423.462	4.396	10	30	HICC	
O=c1c2ccc(O)c(CN3CCCCC3)c2oc2c(CN3CCCCC3)c(O)ccc12	38174016	CLVWSEWBGADLEC-UHFFFAOYSA-N	422.525	4.329	10	30	HICC