smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
c1ccc2nc3ccccc3c-2cc1	1698841	BOLFFYUDEVMACE-UHFFFAOYSA-N	179.222	3.340	5	40	AGBB	
Cc1ccc2cc([N+](=O)[O-])ccc2c1	6071481	STVPPZVCZQZHLW-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
Cc1c([N+](=O)[O-])sc2ccccc12	1700968	MGHQQPWSCOIVIE-UHFFFAOYSA-N	193.227	3.118	5	40	AGBB	
Cc1cccc2cccc([N+](=O)[O-])c12	6071789	VQUZPUQZUDSQJM-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
C[N+](C)(C)[C@H]1CC[C@@H]2CCCC[C@@H]2C1	5385415	HZSUMQWDQVZPOG-XQQFMLRXSA-N	196.358	3.052	5	40	AGBB	
c1ccc2c(c1)ccc1cnccc12	6118574	JQXCGCPMGZBMLE-UHFFFAOYSA-N	179.222	3.388	5	40	AGBB	
Oc1cccc2nc3ccccc3cc12	4429090	XIVOUNPJCNJBPR-UHFFFAOYSA-N	195.221	3.094	5	40	AGBB	
Cc1ccc(C(C)C)c([N+](=O)[O-])c1	1609928	CUZSBBKOVCAUGC-UHFFFAOYSA-N	179.219	3.027	5	40	AGBB	
CC(C)c1ccc(Cl)cc1[N+](=O)[O-]	33606646	AOTRFBGCYAXAPY-UHFFFAOYSA-N	199.637	3.372	5	40	AGBB	
Cc1ccc2ccc([N+](=O)[O-])cc2c1	6071520	XJUSCPOBHFZRKU-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
CCCCC(CCCC)[N+](=O)[O-]	1577835	MBYBDERQJISYFN-UHFFFAOYSA-N	173.256	3.012	5	40	AGBB	
CC1CCC(C(C)(C)[N+](C)(C)C)CC1	1673061	FZSXAERSOJUPJZ-UHFFFAOYSA-N	198.374	3.298	5	40	AGBB	
CCCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1	1673456	LNWKQYSRHXILKM-STQMWFEESA-N	196.358	3.053	5	40	AGBB	
C[N+](C)(C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	5385414	HZSUMQWDQVZPOG-YNEHKIRRSA-N	196.358	3.052	5	40	AGBB	
CC(C)c1ccc([N+](=O)[O-])cc1Cl	35940147	SLMAPOBCEMOCRB-UHFFFAOYSA-N	199.637	3.372	5	40	AGBB	
Cc1cccc2cc([N+](=O)[O-])ccc12	5782756	SOXBGESONWKYDX-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
Cc1cccc2nc3ccccc3nc12	4186663	WBVSERCLMQZOBK-UHFFFAOYSA-N	194.237	3.091	5	40	AGBB	
Cc1ccc2cccc([N+](=O)[O-])c2c1	5782202	LESPVCCNFIVLGV-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
CCCCCCCCC[N+](=O)[O-]	101490498	DAIRUATTZJOIQO-UHFFFAOYSA-N	173.256	3.014	5	40	AGBB	
Cc1c(C)c(C)c([N+](=O)[O-])c(C)c1C	32149222	RBDSUVKUGRWOPC-UHFFFAOYSA-N	193.246	3.137	5	40	AGBB	
c1ccc2cc3ncccc3cc2c1	1508114	RFQDDXWZZVRLKO-UHFFFAOYSA-N	179.222	3.388	5	40	AGBB	
Cc1cc([N+](=O)[O-])cc(C(C)C)c1C	37594065	LWXYRCYAGNMAMJ-UHFFFAOYSA-N	193.246	3.335	5	40	AGBB	
C[N+](C)(C)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	1563614	HZSUMQWDQVZPOG-JHJVBQTASA-N	196.358	3.052	5	40	AGBB	
Oc1cccc2c1ncc1ccccc12	16545112	XXCLAJNAENJKLS-UHFFFAOYSA-N	195.221	3.094	5	40	AGBB	
CCCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1	1673455	LNWKQYSRHXILKM-CHWSQXEVSA-N	196.358	3.053	5	40	AGBB	
Cc1cc([N+](=O)[O-])c2ccccc2c1	5046278	HKMFJWNUOWBRGF-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
CC[N+]1(C2CCCCC2)CCCCC1	1720073	RJOBNXQCXDKFGK-UHFFFAOYSA-N	196.358	3.340	5	40	AGBB	
O=[N+]([O-])/C=C/c1ccc2ccccc2c1	1703289	FSQRAMKGHLSZCT-BQYQJAHWSA-N	199.209	3.087	5	40	AGBB	
Cc1cc([N+](=O)[O-])cc2ccccc12	6070032	ZHWLZNWJMCOUIZ-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
C[C@H]1C[N+]2(C)C(C)(C)CC1CC2(C)C	72434030	OPZLFPBWFOWTPA-IFQILLTASA-N	196.358	3.050	5	40	AGBB	
CCC(C)(C)c1ccc([N+](=O)[O-])cc1	1687000	LLLHRFJRKDQEIY-UHFFFAOYSA-N	193.246	3.282	5	40	AGBB	
Cc1nc2ccccc2c2ncccc12	202963	FLKLIFRKLCGAGI-UHFFFAOYSA-N	194.237	3.091	5	40	AGBB	
Cc1cccc2ccc([N+](=O)[O-])cc12	5782748	YAXWLSIDOXNUDW-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
C[C@@H]1C[N+]2(C)C(C)(C)CC1CC2(C)C	72434029	OPZLFPBWFOWTPA-CDWSIMAYSA-N	196.358	3.050	5	40	AGBB	
C[N+](C)(C)[C@H]1CC[C@H]2CCCC[C@@H]2C1	5385416	HZSUMQWDQVZPOG-UPJWGTAASA-N	196.358	3.052	5	40	AGBB	
Cc1c([N+](=O)[O-])ccc2ccccc12	1564649	PZVVTJCDVSSMPC-UHFFFAOYSA-N	187.198	3.056	5	40	AGBB	
CC[N+](CC)(CC)c1cccc(C)c1	1632628	NALCQKPUMYOWPS-UHFFFAOYSA-N	192.326	3.362	5	40	AGBB	
Cc1ccc(C(C)(C)C)cc1[N+](=O)[O-]	19872718	HRVZKMAFMMNKGU-UHFFFAOYSA-N	193.246	3.201	5	40	AGBB	
Cc1csc2ccc([N+](=O)[O-])cc12	1701067	ZHFCNWVBMJIBPC-UHFFFAOYSA-N	193.227	3.118	5	40	AGBB	
CCCC[N+]1(C)C[C@H]2CCCC[C@H]2C1	17301631	LNWKQYSRHXILKM-PBWFPOADSA-N	196.358	3.053	5	40	AGBB	
Cc1ccc2nc3ccccc3nc2c1	4186665	OPRPTWWUMRGFMA-UHFFFAOYSA-N	194.237	3.091	5	40	AGBB	
Cc1ccc2ccc3ncccc3c2n1	39201015	NUJFAQKFUDBKLA-UHFFFAOYSA-N	194.237	3.091	5	40	AGBB	
CC[N+](CC)(CC)c1ccc(C)cc1	1632629	AKRUITQMOURRCL-UHFFFAOYSA-N	192.326	3.362	5	40	AGBB