smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cncc([C@@H]2CCC[N+]2(C)[O-])c1	169698953	SSOPKRVBQDAWGW-AMGKYWFPSA-N	192.262	2.169	5	1	AEBF	
CC1=CC[C@@H](C[N+](C)(C)C)C1	39249082	VHJSNPMZXKUZOJ-SNVBAGLBSA-N	154.277	2.049	5	1	AEBF	
COc1ccc(C)c([N+](C)(C)C)c1	13605092	ZRJNTMHQIDCDLL-UHFFFAOYSA-N	180.271	2.200	5	1	AEBF	
CO[C@H](C[N+](C)(C)C)c1ccccc1	6068158	GQINVYXEQWNVSG-GFCCVEGCSA-N	194.298	2.080	5	1	AEBF	
CC1(C)C=N[N@+]2(C)[C@H]3C=C[C@@H](CC3)[C@H]12	299814672	RUIPEXMCEBSRSU-KZWBYHQPSA-N	191.298	2.176	5	1	AEBF	
CC1(C)C=N[N+]2(C)[C@H]1[C@@H]1C=C[C@H]2CC1	17193868	RUIPEXMCEBSRSU-CWIQIKOMSA-N	191.298	2.176	5	1	AEBF	
CO[C@@H](C[N+](C)(C)C)c1ccccc1	6068145	GQINVYXEQWNVSG-LBPRGKRZSA-N	194.298	2.080	5	1	AEBF	
Cc1ccccc1C(O)=C[N+](=O)[O-]	2356839137	CSRJCFPCCQLXQJ-UHFFFAOYSA-N	179.175	2.128	5	1	AEBF	
CC[C@@]1([N+](=O)[O-])C[C@H]2C=C[C@@H]1C2	3954201	NYZGRNLYVHILAU-DJLDLDEBSA-N	167.208	2.008	5	1	AEBF	
Nc1cc2cccc[n+]2c2ccccc12	1586995	RIDRNCSCRBESSL-UHFFFAOYSA-O	195.245	2.161	5	1	AEBF	
O=c1cc2ccccn2c2ccccc12	34204627	JALGKQXWNASESS-UHFFFAOYSA-N	195.221	2.453	5	1	AEBF	
Nc1ccc2cc3cccc[n+]3cc2c1	196138777	QVENJNXVELGRHV-UHFFFAOYSA-N	195.245	2.161	5	1	AEBF	
CC1(C)C=N[N+]2(C)[C@@H]3C=C[C@H](CC3)[C@@H]12	105483657	RUIPEXMCEBSRSU-YKLVJOERSA-N	191.298	2.176	5	1	AEBF	
CC[N+]1(C)CCc2ccccc2C1	1481935	KTYUMBVKMXGUNR-UHFFFAOYSA-N	176.283	2.209	5	1	AEBF	in-man
Cc1cncc([C@@H]2CCC[N@@+]2(C)[O-])c1	261170020	SSOPKRVBQDAWGW-WCQYABFASA-N	192.262	2.169	5	1	AEBF	
Nc1nc2ccncc2c2ccccc12	169350065	WZLNCFWMARKSSU-UHFFFAOYSA-N	195.225	2.365	5	1	AEBF	
C[N+]1(C)CCC[C@H]1c1ccco1	40893087	UQKUWRGDEQERRW-VIFPVBQESA-N	166.244	2.191	5	1	AEBF	
CCC[C@@H]1CCCC[N+]1(C)C	14680511	DUMHGORTMDIJNA-SNVBAGLBSA-N	156.293	2.415	5	1	AEBF	biogenic,in-vitro
C[C@H]1CNc2ccccc2C[N+]1(C)C	169316401	BDHWYTUROBBVKO-JTQLQIEISA-N	191.298	2.077	5	1	AEBF	
COc1cccc([N+](C)(C)C)c1C	13605090	YBAOERMDQLYCJA-UHFFFAOYSA-N	180.271	2.200	5	1	AEBF	
Oc1ccc2ccc3cccc[n+]3c2c1	384120	PGMYAFHGARCXKK-UHFFFAOYSA-O	196.229	2.284	5	3	AEBF	
O=c1occc2c1cnc1ccccc12	32297569	NOAIRJZXLSKGPM-UHFFFAOYSA-N	197.193	2.341	5	1	AEBF	
[O-][N+]12CCCc3cccc(c31)CCC2	72141292	SMVPAJMKZZONTO-UHFFFAOYSA-N	189.258	2.384	5	1	AEBF	
C[C@H]1CC[C@@H](C[N+](C)(C)C)C1	33805896	GBVAWIUXJREWFF-VHSXEESVSA-N	156.293	2.129	5	1	AEBF	
CCC[C@H]1CCCC[N+]1(C)C	14680513	DUMHGORTMDIJNA-JTQLQIEISA-N	156.293	2.415	5	1	AEBF	
C[N+](C)(C)/C=C/c1ccc(O)cc1	34497071	XLKUFENKKKGUMA-CMDGGOBGSA-O	178.255	2.069	5	1	AEBF	
C[N+]1([O-])CC=C(c2ccccc2)CC1	902155	FZVSMNOAJGWONA-UHFFFAOYSA-N	189.258	2.418	5	1	AEBF	in-vitro
C[C@@H]1C[N+](C)([O-])C[C@@H]2[C@@H](C)CC[C@H]12	238776018	RZJCIMUIRXKJCI-MHTWJZCWSA-N	183.295	2.243	5	1	AEBF	
CC1(C)C=N[N@@+]2(C)[C@H]3C=C[C@@H](CC3)[C@H]12	299814671	RUIPEXMCEBSRSU-DYNIEEOBSA-N	191.298	2.176	5	1	AEBF	
Oc1cc2cccc[n+]2c2ccccc12	1586996	JALGKQXWNASESS-UHFFFAOYSA-O	196.229	2.284	5	1	AEBF	
Cc1cccc([N+](C)(C)C)c1	21981728	IUWCURZUIVYSQI-UHFFFAOYSA-N	150.245	2.192	5	1	AEBF	
C[N+](C)(C)Cc1ccc(S)cc1	40631367	CPSXLHSBOCYTLX-UHFFFAOYSA-O	182.312	2.182	5	1	AEBF	
Nc1nc2cccnc2c2ccccc12	169350064	GVKWFALVTZVTCQ-UHFFFAOYSA-N	195.225	2.365	5	1	AEBF	
C[N+]1(C)CCC[C@@H]1c1ccco1	40893084	UQKUWRGDEQERRW-SECBINFHSA-N	166.244	2.191	5	1	AEBF	
Cc1cncc([C@@H]2CCC[N@+]2(C)[O-])c1	261170019	SSOPKRVBQDAWGW-AAEUAGOBSA-N	192.262	2.169	5	1	AEBF	
Cc1ccc([C@@H]2CCC[N+]2(C)C)o1	40379710	QNSARCANYFMUAG-JTQLQIEISA-N	180.271	2.499	5	1	AEBF	
c1cnc2cc3nccnc3cc2c1	73224766	QPZHKYGYNKCVMO-UHFFFAOYSA-N	181.198	2.178	5	1	AEBF	
CC1(C)C=N[N@+]2(C)[C@H]1[C@H]1C=C[C@H]2CC1	299814673	RUIPEXMCEBSRSU-RMIALFOJSA-N	191.298	2.176	5	1	AEBF	
C[C@@H]1CNc2ccccc2C[N+]1(C)C	169316400	BDHWYTUROBBVKO-SNVBAGLBSA-N	191.298	2.077	5	1	AEBF	
CC1(C)C=N[N@@+]2(C)[C@H]1[C@H]1C=C[C@H]2CC1	299814670	RUIPEXMCEBSRSU-AYGWYOGXSA-N	191.298	2.176	5	1	AEBF	
C[N+](C)(C)C[C@@H]1CC=CCC1	219216355	JUZRPTQGRDEBRP-SNVBAGLBSA-N	154.277	2.049	5	1	AEBF	
Cc1ccc([C@H]2CCC[N+]2(C)C)o1	40379711	QNSARCANYFMUAG-SNVBAGLBSA-N	180.271	2.499	5	1	AEBF	
COc1cc([N+](C)(C)C)ccc1C	13605093	YZUJXHKXTUOUQE-UHFFFAOYSA-N	180.271	2.200	5	1	AEBF