smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCn4nc(CO)cc4C3)ccc21	217470836	RJACJYMZQPLXJZ-UHFFFAOYSA-N	377.426	-0.230	70	50	GBIA	
CS(=O)(=O)N1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1	218495845	XMUZYAXKNTZVNK-UHFFFAOYSA-N	387.458	-0.745	70	50	GBIA	
CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1	2325885098	NALMJWVDMQLLNW-UHFFFAOYSA-N	393.462	-0.213	70	50	GBIA	
CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc23)[C@H]2CCO[C@H]21	218150887	DCHSVMPERCSSPT-ZMJPVWNMSA-N	378.410	-0.642	70	50	GBIA	
COC(=O)[C@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)CCCCCn1cnnn1	2325887638	GZJKNLXFMHQWKA-GHMZBOCLSA-N	377.398	-0.325	70	50	GBIA	
Cn1nnc2c(S(=O)(=O)N3CCn4nc([C@@H](O)CO)cc4C3)cccc21	217009271	KYPUIQBVZJGXKK-ZDUSSCGKSA-N	378.414	-0.605	70	50	GBIA	
O=C(Cn1cnc2ccsc2c1=O)N1CCn2nc([C@H](O)CO)cc2C1	216916482	VORMZGFYXNQPKH-CYBMUJFWSA-N	375.410	-0.277	70	50	GBIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	218497987	PKQAODWPXRXKKN-MFKMUULPSA-N	381.410	-0.187	70	50	GBIA	
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)CCCCCn1cnnn1	2325887639	GZJKNLXFMHQWKA-MNOVXSKESA-N	377.398	-0.325	70	50	GBIA	
COC(=O)[C@@H]1C[C@H](S(=O)(=O)F)CN1C(=O)CCCCCn1cnnn1	2325887640	GZJKNLXFMHQWKA-QWRGUYRKSA-N	377.398	-0.325	70	50	GBIA	
CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c(CO)nc3c2)[C@H]2CCO[C@H]21	218744887	UDSAYQRMUAHVRN-KYQLBWAOSA-N	380.426	-0.510	70	50	GBIA	
O=C1CN(CC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C(=O)N1	217030422	FLXMKDSCTXOJGX-UHFFFAOYSA-N	378.336	-0.243	70	50	GBIA	
NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2325885097	LJWZIILGMCXZEL-NSHDSACASA-N	386.448	-0.214	70	50	GBIA	
CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)COc1cccnc1)C2	218479527	ZVMKXFLMPQYSOL-OAHLLOKOSA-N	380.426	-0.223	70	50	GBIA	
CC(C)N1CCN(c2nccc(N3CCN[C@@H]4CS(=O)(=O)C[C@@H]43)n2)CC1	216935987	FUJRDLQXWBLAEO-CABCVRRESA-N	380.518	-0.418	70	50	GBIA	
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1	218254572	OMYPVFIQHZGRNZ-OLZOCXBDSA-N	383.401	-0.061	70	50	GBIA	
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCc3c[nH]c(=O)[nH]c3=O)ccc21	217374026	BHBPLDRUXKAQFZ-LBPRGKRZSA-N	384.396	-0.549	70	50	GBIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1	218498067	PKQAODWPXRXKKN-GWCFXTLKSA-N	381.410	-0.187	70	50	GBIA	
O=C(Nc1cnn(Cc2nnc3n2CCC3)c1)N1CCN(S(=O)(=O)F)CC1	2325890169	GURDHCXQJVYONN-UHFFFAOYSA-N	398.424	-0.167	70	50	GBIA	
Cc1cc(C(=O)N2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)nc(N)n1	218219394	RPFZOFKOTDLJBN-ZDUSSCGKSA-N	380.430	-0.702	70	50	GBIA	
CCc1nccn1CC(=O)N1CCCN(S(=O)(=O)N2CCOCC2)CC1	218730212	KYMLPEARSFLUOH-UHFFFAOYSA-N	385.490	-0.443	70	50	GBIA	
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)Cn1cc(C(F)(F)F)ccc1=O	218625401	PTOCMPDWEHKVJE-MNOVXSKESA-N	377.319	-0.357	70	50	GBIA	
Cc1cc(C(=O)N2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)nc(N)n1	218219461	RPFZOFKOTDLJBN-CYBMUJFWSA-N	380.430	-0.702	70	50	GBIA	
NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	2325885096	LJWZIILGMCXZEL-LLVKDONJSA-N	386.448	-0.214	70	50	GBIA	
CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)COc1cccnc1)C2	218479611	ZVMKXFLMPQYSOL-HNNXBMFYSA-N	380.426	-0.223	70	50	GBIA	
CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccc(Cn3ccnc3)o2)[C@H]2CCO[C@H]21	218757024	YWKHGEMQZWNRAD-FAAHXZRKSA-N	380.426	-0.041	70	50	GBIA	
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N[C@H]1CCS(=O)(=O)C1	218254632	OMYPVFIQHZGRNZ-STQMWFEESA-N	383.401	-0.061	70	50	GBIA	
Cn1nnc2c(S(=O)(=O)N3CCn4nc([C@H](O)CO)cc4C3)cccc21	217009286	KYPUIQBVZJGXKK-CYBMUJFWSA-N	378.414	-0.605	70	50	GBIA	
O=C(Cn1cnc2ccsc2c1=O)N1CCn2nc([C@@H](O)CO)cc2C1	216916452	VORMZGFYXNQPKH-ZDUSSCGKSA-N	375.410	-0.277	70	50	GBIA	
COC(=O)[C@H]1C[C@H](S(=O)(=O)F)CN1C(=O)CCCCCn1cnnn1	2325887641	GZJKNLXFMHQWKA-WDEREUQCSA-N	377.398	-0.325	70	50	GBIA	
O=c1[nH]c2ccc(S(=O)(=O)N3CCn4nc(CO)cc4C3)cc2[nH]c1=O	217044401	IDRQOQSWYILUIK-UHFFFAOYSA-N	377.382	-0.890	70	50	GBIA	
O=c1[nH]cc(S(=O)(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)c(=O)[nH]1	218690440	ASKPXXLGNCXAHV-NEBZKDRISA-N	377.422	-0.012	70	50	GBIA	
Cc1cn(CC(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c(=O)[nH]c1=O	218304009	UKMWKNAZKMAADC-CHWSQXEVSA-N	380.426	-0.208	70	50	GBIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCN3CCOCC3)C2=O)cc1	218481706	JLDWTSJRQREMBX-HNNXBMFYSA-N	376.413	-0.042	70	50	GBIA